(α/β)-pokeberrygenin
group of stereoisomers
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(α/β)-pokeberrygenin
Summary
(α/β)-pokeberrygenin is a group of stereoisomers[1].
Key Facts
- (α/β)-pokeberrygenin's instance of is recorded as group of stereoisomers[2].
- (α/β)-pokeberrygenin's CAS Registry Number is recorded as 75206-90-5[3].
- (α/β)-pokeberrygenin's canonical SMILES is recorded as O=C(O)C12CCC(C(=O)OC)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1[4].
- (α/β)-pokeberrygenin's InChI is recorded as InChI=1S/C31H48O6/c1-26(2)21-10-11-30(6)22(28(21,4)17-20(32)23(26)33)9-8-18-19-16-27(3,25(36)37-7)12-14-31(19,24(34)35)15-13-29(18,30)5/h8,19-23,32-33H,9-17H2,1-7H3,(H,34,35)/t19-,20+,21?,22-,23+,27-,28+,29-,30-,31+/m1/s1[5].
- (α/β)-pokeberrygenin's InChIKey is recorded as XINANDRKNJRDBH-KSJJSBHMSA-N[6].
- (α/β)-pokeberrygenin's chemical formula is recorded as C₃₁H₄₈O₆[7].
- (α/β)-pokeberrygenin's subclass of is recorded as 10,11-Dihydroxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid[8].
- (α/β)-pokeberrygenin's PubChem CID is recorded as 156580[9].
- (α/β)-pokeberrygenin's ChEBI ID is recorded as 167985[10].
- (α/β)-pokeberrygenin's found in taxon is recorded as Phytolacca americana[11].
- (α/β)-pokeberrygenin's isomeric SMILES is recorded as COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC@HC@HC(C)(C)C5CC[C@]43C)[C@H]2C1C@HC@HC(C)(C)C5CC[C@]43C)[C@H]2C1">[12].
- (α/β)-pokeberrygenin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+516.345089256'}[13].
- (α/β)-pokeberrygenin's DSSTox substance ID is recorded as DTXSID70996668[14].
- (α/β)-pokeberrygenin's DSSTOX compound identifier is recorded as DTXCID901423682[15].
- (α/β)-pokeberrygenin's UniChem compound ID is recorded as 43134634[16].