TPCN02546

Name Crokonoid B
Molecular Formula C20H32O3
Molecular Weight 320.47
CAS Registry Number 2694065-00-2
SMILES CC1C(=O)C23C(O)CC4C(C)(C)CCCC4(C)C2CCC1C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Croton kongensis Aerial parts 0.000769% Org Lett 22, 929-933 (2020). 10.1021/acs.orglett.9b04484
Euphorbiaceae Croton kongensis Aerial parts 0.000769% None 10.1021/acs.orglett.1c01757
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 3.18
TPSA 57.53 RotatableBonds 0
FractionCSP3 0.95 Rings 4
AromaticRings 0 AliphaticRings 4