TPCN02560

Name (1aS,3R,3aR,3bS,6aS,7S,7aR,8aS,8bR,8cR)-1,2,3,3a,3b,6,6a,7,7a,8a,8b,8c-Dodecahydro-3a,6a,7-trihydroxy-7a-(hydroxymethyl)-1,1,3,5-tetramethyl-6-oxo-1aH-cyclopropa[5??,6??]benz[1??,2??:7,8]azuleno[5,6-b]oxiren-1a-yl decanoate
Molecular Formula C30H46O8
Molecular Weight 534.69
CAS Registry Number 1256844-45-7
SMILES CCCCCCCCCC(=O)OC12CC(C)C3(O)C(C4OC4(CO)C(O)C4(O)C(=O)C(C)=CC43)C1C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Thymelaeaceae Pimelea elongata Roots 0.000700% J Nat Prod 73, 1907-1913 (2010). 10.1021/np1005746
Properties
HBA 8 HBD 4
HeavyAtoms 38 AlogP 2.83
TPSA 136.82 RotatableBonds 10
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5