2-methyltetrahymanol
Chemical Formula:
C31H54O
Molecular Weight:
442.767 Daltons
Monoisotopic Mass:
442.4174663555 Daltons
SMILES:
CC5(CC(C)(C)[CH]4(CCC3(C)([CH](CC[CH]2(C(C)(CC[CH]1(C(C)(CCC(O)C(C)(C)1)2))3))C(C)4C5)))
InChI:
1S/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20?,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14517
PubChem (CID):
90657537
MetaNetX:
MNXM97652