7-oxatyphasterol

Chemical Formula:

C₂₈H₄₈O₅

Molecular Weight:

464.684 Daltons

Monoisotopic Mass:

464.3501746513 Daltons

SMILES:

CC(C(C(C(C(C)C1(C2(CCC3(C4(C)(CCC(O)C[CH](C(=O)OCC(C(CC1)2)3)4)))(C)))O)O)C)C

InChI:

1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19?,20?,21?,22?,23+,24+,25+,27+,28+/m0/s1

InChIKey:

LLFIMDUWAVPJEJ-KKOXEEMUSA-N

Synonyms

(22R,23R,24S)-3alpha,22,23-trihydroxy-24-methyl-B-homo-7-oxa-5alpha-cholestan-6-one

Databases

MetaCyc: CPD-12497

PubChem (CID): 46926207

Seed: cpd17835

ChEBI: 81307

MetaNetX: MNXM10432

KEGG: C17735