4α-carboxy,4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol

Chemical Formula:

C₃₀H₄₇O₃

Molecular Weight:

455.699 Daltons

Monoisotopic Mass:

456.3603454071 Daltons

SMILES:

CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C([O-])=O)(C)C(O)CCC2(CC12CCC(C)34)5))))

InChI:

1S/C30H48O3/c1-19(2)8-7-9-20(3)21-12-14-27(5)22-10-11-23-28(6,25(32)33)24(31)13-15-29(23)18-30(22,29)17-16-26(21,27)4/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/p-1/t20-,21-,22+,23+,24+,26-,27+,28+,29?,30?/m1/s1

InChIKey:

GHMALMMXVUBOFV-HILGRQLYSA-M

Synonyms

(3β,4α)-3-hydroxy-9,19-cyclolanost-24-en-28-oic acid

Databases

MetaCyc: CPD-12919

PubChem (CID): 102515370