(25S)-5-β-spirostan-3-β-ol

Chemical Formula:

C₂₇H₄₄O₃

Molecular Weight:

416.643 Daltons

Monoisotopic Mass:

416.3290452787 Daltons

SMILES:

CC1(COC2(CC1)(C(C)[CH]3(C5(C)([CH](C[CH](O2)3)[CH]4(CC[CH]6(C(C)([CH]4CC5)CCC(O)C6))))))

InChI:

1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

InChIKey:

GMBQZIIUCVWOCD-WWASVFFGSA-N

Synonyms

sarsasopogenin

Databases

MetaCyc: CPD-1946

PubChem (CID): 92095

ChEBI: 15578

HMDB: HMDB30024

ChemSpider: 190588

KEGG: C03963

Seed: cpd02460

MetaNetX: MNXM3741