TPCN02862

Name (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,10,13-Pentakis(acetyloxy)-11-(benzoyloxy)-1,2,3,3a,5,8,9,10,11,12,13,13a-dodecahydro-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecen-4-one
Molecular Formula C37H46O13
Molecular Weight 698.76
CAS Registry Number 362681-82-1
SMILES C=C1C(OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(C)=O)C2C1OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia turczaninowii Whole plants 0.000200% J Nat Prod 64, 1064-1068 (2001). 10.1021/np010015q
Properties
HBA 13 HBD 0
HeavyAtoms 50 AlogP 4.25
TPSA 174.87 RotatableBonds 7
FractionCSP3 0.54 Rings 3
AromaticRings 1 AliphaticRings 2