zymosterol intermediate 1a

Chemical Formula:

C₂₈H₄₆O

Molecular Weight:

414.664 Daltons

Monoisotopic Mass:

414.349792 Daltons

SMILES:

[H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2CO

InChI:

1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1

InChIKey:

ORZKEIGPXNMCHC-BZBPNLPVSA-N

Synonyms

4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol
4-hydroxymethylzymosterol

Databases

ChemSpider: 23107009

ChEBI: 52388

LIPID MAPS: LMST01010169