TPCN02628

Name 3-Pyridinecarboxylic acid, (1S,2aR,3R,4aS,5R,5aR,6S,7S,8aR,9R,10R,10aR,10bS)-1,6,8a-tris(acetyloxy)tetradecahydro-1,7,10-trimethyl-3-(2-methyl-1-oxopropoxy)-4-oxo-1H-10,4a-(epoxymethano)cyclobuta[3,4]benz[1,2-f]azulene-5,9-diyl ester
Molecular Formula C42H48N2O14
Molecular Weight 804.85
CAS Registry Number 213920-23-1
SMILES CC(=O)OC1C(C)CC2(OC(C)=O)C1C(OC(=O)c1cccnc1)C13COC(C)(C2OC(=O)c2cccnc2)C1C1C(CC1(C)OC(C)=O)C(OC(=O)C(C)C)C3=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia seguieriana Whole plants 0.000510% J Nat Prod 61, 1198-1201 (1998). 10.1021/np970559l
Properties
HBA 16 HBD 0
HeavyAtoms 58 AlogP 3.63
TPSA 209.88 RotatableBonds 9
FractionCSP3 0.60 Rings 7
AromaticRings 2 AliphaticRings 5