TPCN02862
Name | (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,10,13-Pentakis(acetyloxy)-11-(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 | C37H46O13 |
Molecular Weight | 698.76 |
CAS Registry Number | 362681-82-1 |
SMILES | C=C1C(OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(C)=O)C2C1OC(C)=O |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Euphorbiaceae | Euphorbia turczaninowii | Whole plants | 0.000200% | J Nat Prod 64, 1064-1068 (2001). | 10.1021/np010015q |
Properties
HBA | 13 | HBD | 0 |
HeavyAtoms | 50 | AlogP | 4.25 |
TPSA | 174.87 | RotatableBonds | 7 |
FractionCSP3 | 0.54 | Rings | 3 |
AromaticRings | 1 | AliphaticRings | 2 |