Properties
Canonical smiles
CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
Chemical formula
C₂₉H₄₈O
Found in taxon
Baccharoides anthelmintica, Amaranthus leucocarpus, Amaranthus hypochondriacus, Amaranthus caudatus, Amaranthus tricolor, Amaranthus cruentus, Amaranthus retroflexus, Amaranthus dubius, Aesculus hippocastanum, Albizia julibrissin, Anaphalis lactea, Archidendron chevalieri, Ardisia mamillata, Aristea ecklonii, Aster oharai, Aster poliothamnus, Aster scaber, Baccharis ochracea, Begonia heracleifolia, Wax gourd, Beta vulgaris, Blutaparon portulacoides, Boltonia asteroides, Bougainvillea spectabilis, Bryonia dioica, Bupleurum fruticosum, Camellia japonica, Camellia sinensis, Codonopsis javanica, Carthamus tinctorius, watermelon, Clinopodium laxiflorum, Clinopodium umbrosum, Codonopsis bulleyana, Codonopsis canescens, Codonopsis chlorocodon, Codonopsis clematidea, Codonopsis lanceolata, Codonopsis macrocalyx, Codonopsis meleagris, Codonopsis pilosula, Codonopsis subglobosa, Codonopsis subscaposa, Codonopsis tubulosa, Codonopsis ussuriensis, Eschenbachia blinii, Cucumis melo, Cucumis sativus, Cucurbita maxima, Cucurbita pepo, Garcinia quaesita, Polyspora ceylanica, Grindelia tarapacana, Gypsophila perfoliata, Harpullia arborea, Heteroplexis microcephala, Hydrocotyle ramiflora, Impatiens balsamina, Luffa aegyptiaca, Diploknema butyracea, Silene firma, Microglossa pyrrhopappa, Mimusops elengi, Glinus oppositifolius, Nigella sativa, Nothoscordum montevidense, American ginseng, Pandanus odoratissimus, Planchonella vitiensis, Hubera cerasoides, Polygala cyparissias, Polygala paniculata, Polygala sabulosa, Prunella vulgaris, Saponaria officinalis, Solidago wrightii, Spinacia oleracea, Stachytarpheta urticaefolia, Tephrosia purpurea, Tetragonia tetragonoides, Trichosanthes cucumeroides, Trichosanthes multiloba, Cyanthillium cinereum, Aster koraiensis, Ardisia brevicaulis, Argania spinosa, Sideroxylon spinosum, Phallusia nigra, Axinella cannabina, Barringtonia asiatica, Bidens pilosa, Conium maculatum, Cyanidium caldarium, Erythrophleum fordii, Galdieria sulphuraria, Heterotheca inuloides, Hydrocotyle leucocephala, Juncus effusus, Manilkara bidentata, Phytolacca americana, Scrophularia smithii, Silene conoidea, Pueraria montana var. lobata, Myrsine africana, Amaranthus hybridus, Pandanus tectorius, Codonopsis benthamii, Polygala sellowiana, Aster spathulifolius, Celosia argentea, Lagenaria siceraria, Sanicula epipactis, Medicago monspeliaca, Allium neapolitanum, Laennecia filaginoides, Codonopsis bhutanica, Pseudocodon convolvulaceus, Trichosanthes tricuspidata, Trichosanthes kirilowii, Pandanus odorifer, Amaranthus blitum, Acacia longifolia, Acacia dealbata, Acacia melanoxylon, Acacia retinodes, Amaranthus lividus
Isomeric smiles
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
Mass
+412.370516
Stereoisomer of
(3R,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, chondrillasterol, (3S,5S,9S,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5R,9R,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5S,9S,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3R,5S,9S,10R,13S,14R,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5S,9S,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3R,5S,9S,10R,13S,14R,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3R,5S,9S,10S,13S,14R,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5S,9R,10S,13R,14R,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3R,5S,9S,10S,13S,14R,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3R,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
External References (18)
Cas registry number
481-18-5
Chebi id
10333
Chembl id
CHEMBL487783
Chemspider id
4444708
Dsstox substance id
DTXSID801044364
Freebase id
/m/0vxdqvj
Human metabolome database id
HMDB0302273
Inchi
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
Inchikey
JZVFJDZBLUFKCA-FXIAWGAOSA-N
Kegg id
C08840
Knapsack id
C00003673
Lipid maps id
LMST01040126
Microsoft academic id (discontinued)
2781388865
Probes and drugs id
PD069730
Pubchem cid
5281331
Surechembl id
232490
Unichem compound id
302255
Unii
0LG993QX1A