TPCN03392

Name Graveospene C
Molecular Formula C28H42O7
Molecular Weight 490.64
CAS Registry Number 2543579-95-7
SMILES C=CC(C)=CCC1(C)C(C)CC(O)C23C(=CC(OC(=O)CC(C)C)CC12)C(OC)OC3OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Salicaceae Casearia graveolens Leaves 0.000056% None 10.1021/acs.jnatprod.9b00515
Properties
HBA 7 HBD 1
HeavyAtoms 35 AlogP 4.70
TPSA 91.29 RotatableBonds 8
FractionCSP3 0.71 Rings 3
AromaticRings 0 AliphaticRings 3