TPCN02514

Name 8,11,13-cleistanthatrien-7-one
Molecular Formula C20H28O
Molecular Weight 284.44
CAS Registry Number 88399-24-0
SMILES CCc1c(C)ccc2c1C(=O)CC1C(C)(C)CCCC21C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Velloziaceae Vellozia compacta Whole plants 0.000895% Phytochemistry 53, 917-919 (2000). 10.1016/s0031-9422(99)00579-8
Properties
HBA 1 HBD 0
HeavyAtoms 21 AlogP 5.23
TPSA 17.07 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 1 AliphaticRings 2