4α-carboxy-5α-cholesta-8-en-3β-ol

Chemical Formula:

C₂₈H₄₅O₃

Molecular Weight:

429.662 Daltons

Monoisotopic Mass:

430.34469534289997 Daltons

SMILES:

CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C([O-])=O)C(O)CC3)))CC4)))C

InChI:

1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1

InChIKey:

RODBXVVNKJCWQR-GSQAGGHASA-M

Databases

MetaCyc: CPD-8619

ChEBI: 87055

PubChem (CID): 91826593

HMDB: HMDB12166

Seed: cpd25365

MetaNetX: MNXM10248