4α-carboxy-5α-cholesta-7,24-dien-3β-ol

Chemical Formula:

C₂₈H₄₃O₃

Molecular Weight:

427.646 Daltons

Monoisotopic Mass:

428.3290452787 Daltons

SMILES:

CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C([O-])=O)C(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C28H44O3/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/h7,9,18,20-25,29H,6,8,10-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1

InChIKey:

BWHPOOZLIGPHHL-QPCSTCLVSA-M

Databases

MetaCyc: CPD-12928

PubChem (CID): 102514975

Seed: cpd23647

MetaNetX: MNXM10247