14α-hydroxy-cholesta-4,7-diene-3,6-dione

Chemical Formula:

C₂₇H₄₀O₃

Molecular Weight:

412.611 Daltons

Monoisotopic Mass:

412.2977451503 Daltons

SMILES:

CC(C)CCCC(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C=C(C(=O)C=C23)4))))

InChI:

1S/C27H40O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h15-18,20-21,30H,6-14H2,1-5H3/t18-,20-,21+,25-,26-,27-/m1/s1

InChIKey:

JQECLOFLPBXSHY-HYKFAYIJSA-N

Synonyms

Δ⁴-diketol

Databases

MetaCyc: CPD-15501

PubChem (CID): 90657981

MetaNetX: MNXM147688