TPCN02967
Name | (1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-1,3a,9,10,11,13-Hexakis(acetyloxy)-2-(benzoyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecen-4-one |
Molecular Formula | C39H48O15 |
Molecular Weight | 756.80 |
CAS Registry Number | 362681-83-2 |
SMILES | C=C1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)(OC(=O)c3ccccc3)C(OC(C)=O)C2C1OC(C)=O |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Euphorbiaceae | Euphorbia turczaninowii | Whole plants | 0.000133% | J Nat Prod 64, 1064-1068 (2001). | 10.1021/np010015q |
Properties
HBA | 15 | HBD | 0 |
HeavyAtoms | 54 | AlogP | 3.94 |
TPSA | 201.17 | RotatableBonds | 8 |
FractionCSP3 | 0.54 | Rings | 3 |
AromaticRings | 1 | AliphaticRings | 2 |