adhyperforin
Chemical Formula:
C36H54O4
Molecular Weight:
550.82 Daltons
Monoisotopic Mass:
550.4022102218 Daltons
SMILES:
CCC(C)C(=O)C12(C(C(CC(C(C(=C1O)CC=C(C)C)=O)(C(=O)2)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C)
InChI:
1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,39H,12-13,17-18,20-22H2,1-11H3/t27?,28-,34+,35+,36-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14533
PubChem (CID):
44427225
CAS:
143183-63-5
MetaNetX:
MNXM97884