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