TPCN02342
Name | 17-Acetoxy-13_x000b_3aH-Cyclopenta[a]cyclopropa[i]naphthalene-3a-methanol, dodecahydro-1-hydroxy-1,5a-dimethyl-6-(1-methylethyl)-, 3a-acetate, (1R,3aR,5aR,6R,8aR,8bR,9aR)- |
Molecular Formula | C22H36O3 |
Molecular Weight | 348.53 |
CAS Registry Number | 1268492-81-4 |
SMILES | CC(=O)OCC12CCC(C)(O)C3CC31C1CCC(C(C)C)C1(C)CC2 |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Apiaceae | Azorella madreporica | Aerial parts | 0.002363% | Nat Prod Res 25, 653-657 (2011). | 10.1080/14786419.2010.490215 |
Properties
HBA | 3 | HBD | 1 |
HeavyAtoms | 25 | AlogP | 4.57 |
TPSA | 46.53 | RotatableBonds | 3 |
FractionCSP3 | 0.95 | Rings | 4 |
AromaticRings | 0 | AliphaticRings | 4 |