β-amyrin

Chemical Formula:

C₃₀H₅₀O

Molecular Weight:

426.724 Daltons

Monoisotopic Mass:

426.3861662271 Daltons

SMILES:

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

InChI:

1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

InChIKey:

JFSHUTJDVKUMTJ-QHPUVITPSA-N

Synonyms

β-amyrenol

Databases

MetaCyc: CPD-6948

PubChem (CID): 73145

ChEBI: 10352

ChemSpider: 5140683

KEGG: C08616

Seed: cpd05523

MetaNetX: MNXM1077

NIKKAJI: J6.490D

KNApSAcK: C00003738

LIPIDBANK: SST9145 SST0136

LIPID MAPS: LMPR0106150015

CHEMBL: CHEMBL455098

PupChem (SID): 10809

CAS: 559-70-6