TPCN02216
Name | (1R,2S,3R,4aR,5R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aS,5R,6aR)-hexahydro-5-methoxyfuro[2,3-b]furan-2-yl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2??-oxiran]-2-yl (2R)-2-(acetyloxy)-2-methylbutanoate |
Molecular Formula | C32H46O13 |
Molecular Weight | 638.71 |
CAS Registry Number | 1528765-27-6 |
SMILES | CCC(C)(OC(C)=O)C(=O)OC1C(O)CC2C(C)(C3CC4CC(OC)OC4O3)C(C)=CC(OC(C)=O)C2(COC(C)=O)C12CO2 |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Aconitum japonicum | Subterraneous stems | 0.006914% | J Nat Med 67, 404-409 (2013). | 10.1007/s11418-012-0690-7 |
Properties
HBA | 13 | HBD | 1 |
HeavyAtoms | 45 | AlogP | 2.35 |
TPSA | 165.65 | RotatableBonds | 9 |
FractionCSP3 | 0.81 | Rings | 5 |
AromaticRings | 0 | AliphaticRings | 5 |