5-α-cholan-3-α,7 α,12-α-triol 24-sulfate

Chemical Formula:

C₂₄H₄₁O₇S

Molecular Weight:

473.644 Daltons

Monoisotopic Mass:

474.26512439289996 Daltons

SMILES:

CC(CCCOS(=O)(=O)[O-])C2(CCC3(C4(C(CC1(CC(CCC(C)1C(CC(C(C)23)O)4)O))O)))

InChI:

1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/p-1/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

InChIKey:

BKZKSSHAWFCVDU-JLIFGLSWSA-M

Synonyms

Petromyzonol 24-sulfate

Databases

MetaCyc: CPD-7262

ChemSpider: 4371546

ChEBI: 58809

PubChem (CID): 5200192

KEGG: C16259

Seed: cpd14975

MetaNetX: MNXM4349