TPCN02405
Name | 2-Pyridinecarboxylic acid, 10a-(acetyloxy)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-2,9-dimethyl-8-(1-methylethenyl)-10-oxo-3-(1-oxobutoxy)-4-(1-oxopropoxy)-1H-9,4a-(epoxymethano)benz[f]azulen-5-yl ester, [2S-(2??,3??,3a??,4??,4a??,5??,8??,8a??,9??,10a??)]- |
Molecular Formula | C35H43NO10 |
Molecular Weight | 637.73 |
CAS Registry Number | 164079-94-1 |
SMILES | C=C(C)C1C=CC(OC(=O)c2ccccn2)C23COC(C)(C(=O)C4(OC(C)=O)CC(C)C(OC(=O)CCC)C4C2OC(=O)CC)C13 |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Euphorbiaceae | Euphorbia myrsinites | Whole plants | 0.001633% | Phytochemistry 38, 1457-1462 (1995). | 10.1016/0031-9422(94)00806-5 |
Properties
HBA | 11 | HBD | 0 |
HeavyAtoms | 46 | AlogP | 4.33 |
TPSA | 144.39 | RotatableBonds | 9 |
FractionCSP3 | 0.60 | Rings | 5 |
AromaticRings | 1 | AliphaticRings | 4 |