TPCN00158

Name Intermediones D
Molecular Formula C27H34O3
Molecular Weight 406.57
CAS Registry Number 2279931-44-9
SMILES CC1(C)C(=O)C2=C(OC3(C)C(CC4CC3C4(C)C)C2c2ccccc2)C(C)(C)C1=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrtaceae Corymbia intermedia Flowers 0.002164% J Nat Prod, 2018, 81, 2455-2461. 10.1021/acs.jnatprod.8b00494
Properties
HBA 3 HBD 0
HeavyAtoms 30 AlogP 5.70
TPSA 43.37 RotatableBonds 1
FractionCSP3 0.63 Rings 6
AromaticRings 1 AliphaticRings 5