3-oxo-23,24-bisnorchol-4-en-22-oate

Chemical Formula:

C₂₂H₃₁O₃

Molecular Weight:

343.485 Daltons

Monoisotopic Mass:

344.2351448935 Daltons

SMILES:

CC([CH]2(CC[CH]3([CH]4(CCC1(=CC(=O)CCC(C)1[CH](CCC(C)23)4)))))C(=O)[O-]

InChI:

1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/p-1/t13-,16-,17+,18-,19-,21-,22+/m0/s1

InChIKey:

QETBTXOVEBTJQH-WAMTXRNCSA-M

Synonyms

3-oxo-23,24-bisnorchol-4-en-22-oic acid
4-BNC
3-one-23,24-bisnorchol-4-en-22-oate

Databases

MetaCyc: CPD-13737

ChEBI: 83777

PubChem (CID): 86290136

Seed: cpd24017

MetaNetX: MNXM14613