Balsaminapentaol
chemical compound
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Balsaminapentaol
Summary
Balsaminapentaol is a type of chemical entity[1].
Key Facts
- Balsaminapentaol's instance of is recorded as type of chemical entity[2].
- Balsaminapentaol's chemical structure is recorded as Balsaminapentaol A.svg[3].
- Balsaminapentaol's CAS Registry Number is recorded as 1189131-49-4[4].
- Balsaminapentaol's canonical SMILES is recorded as OCC1(C2=CC(O)C3C(C)(CCC4(C)C(CCC34C)C(C)CC(O)C(O)C(=C)C)C2CCC1O)C[5].
- Balsaminapentaol's InChI is recorded as InChI=1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7)26-23(33)15-21-20(8-9-24(34)28(21,5)16-31)27(26,4)12-13-29(19,30)6/h15,18-20,22-26,31-35H,1,8-14,16H2,2-7H3/t18-,19-,20-,22-,23+,24+,25-,26-,27+,28-,29-,30+/m1/s1[6].
- Balsaminapentaol's InChIKey is recorded as LJWAEAIXBCCHLR-ITWKNSBQSA-N[7].
- Balsaminapentaol's chemical formula is recorded as C₃₀H₅₀O₅[8].
- Balsaminapentaol's subclass of is recorded as balsaminapentaol[9].
- Balsaminapentaol's ChEMBL ID is recorded as CHEMBL1078341[10].
- Balsaminapentaol's Freebase ID is recorded as /m/0g54j4f[11].
- Balsaminapentaol's UNII is recorded as 2T3PK8ZV3C[12].
- Balsaminapentaol's ChemSpider ID is recorded as 24531941[13].
- Balsaminapentaol's PubChem CID is recorded as 44607275[14].
- Balsaminapentaol's found in taxon is recorded as Momordica charantia[15].
- Balsaminapentaol's found in taxon is recorded as Momordica balsamina[16].
- Balsaminapentaol's isomeric SMILES is recorded as CC@H[C@@]1([H])CC[C@@]2(C)[C@]3([H])C@@HC=C4C@@(CO)C@@HCC[C@@]4([H])[C@]3(C)CC[C@@]21CC@H[C@@]1([H])CC[C@@]2(C)[C@]3([H])C@@HC=C4C@@(CO)C@@HCC[C@@]4([H])[C@]3(C)CC[C@@]21C">[17].
- Balsaminapentaol's mass is recorded as {'unit': 'Q483261', 'amount': '+490.3658247'}[18].
- Balsaminapentaol's SureChEMBL ID is recorded as 31237904[19].
- Balsaminapentaol's DSSTox substance ID is recorded as DTXSID70659645[20].
- Balsaminapentaol's stereoisomer of is recorded as (3S,4S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4-(hydroxymethyl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol[21].
- Balsaminapentaol's DSSTOX compound identifier is recorded as DTXCID90610394[22].
- Balsaminapentaol's UniChem compound ID is recorded as 239429[23].