TPCN04684

Name Acerinol
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 151061-95-9
SMILES CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC2=C(CCC4C5(CCC(O5)C4(C)C)C2)C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga heracleifolia Subterraneous stems 0.000107% Planta Med 79(3-4): 301-307. 10.1055/s-0032-1328174
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 5.13
TPSA 68.15 RotatableBonds 1
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7