5-α-ergosta-7, 22-diene-3-β,5-diol

Chemical Formula:

C₂₈H₄₆O₂

Molecular Weight:

414.67 Daltons

Monoisotopic Mass:

414.34978072079997 Daltons

SMILES:

CC(C)C(C)C=CC(C)C2(CCC1(C3(=CCC4(O)(CC(O)CCC(C)(C(CCC(C)12)3)4))))

InChI:

1S/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+/m0/s1

InChIKey:

KKCUYJKFHVZXJO-AWKCEKCTSA-N

Databases

MetaCyc: ERGOSTA-ETCETERA-BETA-DIOL

ChemSpider: 4444268

PubChem (CID): 5280675

ChEBI: 17938

KEGG: C04416

RefMet: 5alpha-Ergosta-7,22-diene-3beta,5-diol

Seed: cpd02695

MetaNetX: MNXM4405