thalianol
Chemical Formula:
C30H50O
Molecular Weight:
426.724 Daltons
Monoisotopic Mass:
426.3861662271 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)C1(C)(CCC2(=C1CC[CH]3(C(C)2CCC(O)C(C)(C)3)))
InChI:
1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)29(7)19-17-25-24(29)15-16-26-28(5,6)27(31)18-20-30(25,26)8/h11,13,23,26-27,31H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,26+,27+,29-,30-/m1/s1
InChIKey:
Synonyms
- (13R,14R,17E)-podioda-8,17,21-trien-3beta-ol
- (3S,13S, 3R)-malabarica-8,17,21-trien-3-ol (obsolete)
- (13R,14R,17E)-podioda-8,17,21-trien-3β-ol
Databases
MetaCyc:
CPD-10263
PubChem (CID):
25229600
ChEBI:
52317
Seed:
cpd21074
MetaNetX:
MNXM4843
KEGG:
C19832