sclarene
Chemical Formula:
C20H32
Molecular Weight:
272.473 Daltons
Monoisotopic Mass:
272.2504010272 Daltons
SMILES:
C=CC(=C)CC[CH]1(C(=C)CC[CH]2(C(C)1CCCC(C)(C)2))
InChI:
1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18+,20-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14025
PubChem (CID):
90659283
ChEBI:
64281
Seed:
cpd24125
MetaNetX:
MNXM21700