isoarborinol

Chemical Formula:

C₃₀H₅₀O

Molecular Weight:

426.724 Daltons

Monoisotopic Mass:

426.3861662271 Daltons

SMILES:

CC(C3(C2(C)(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC(C)(C1=CCC(C)([CH]2CC3)4)5))))))C

InChI:

1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1

InChIKey:

VWYANPOOORUCFJ-MBVQSDBHSA-N

Synonyms

arborinol B
(+)-isoarborinol
3β-arborinol
D:C-friedo-B':A'-neogammacer-9(11)-en-3-ol, (3β,8β,13β,14α,17β,18α,21β)-

Databases

MetaCyc: CPD-15243

ChEBI: 80835

PubChem (CID): 12305182

ChemSpider: 110530

KNApSAcK: C00046043

KEGG: C16973

CAS: 5532-41-2

Seed: cpd17244

MetaNetX: MNXM57806