3-epi-6-deoxocathasterone

Chemical Formula:

C₂₈H₅₀O₂

Molecular Weight:

418.702 Daltons

Monoisotopic Mass:

418.3810808492 Daltons

SMILES:

CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1

InChIKey:

ZHZKWZJLUNXOSN-LOCIZFEWSA-N

Databases

MetaCyc: CPD-12493

ChEBI: 59410

PubChem (CID): 45480560

Seed: cpd14967

MetaNetX: MNXM2482

KEGG: C16251