30-oxolanosterol

Chemical Formula:

C₃₀H₄₈O₂

Molecular Weight:

440.708 Daltons

Monoisotopic Mass:

440.365430785 Daltons

SMILES:

CC(C)=CCCC([CH]1(C2(C)(C(C=O)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C

InChI:

1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1

InChIKey:

PGGIMLIQOHYFIS-PUXRVUTHSA-N

Synonyms

14-oxo-lanosterol
4,4-dimethyl-14α-formyl-5α-cholesta-8,24-dien-3β-ol

Databases

MetaCyc: CPD-4573

RefMet: 4,4-Dimethyl-14a-formyl-5alpha-cholesta-8,24-dien-3beta-ol

PubChem (CID): 21121725

Seed: cpd24501

HMDB: HMDB62378

MetaNetX: MNXM6859