TPCN02726

Name 3,5,13,17-tetra-O-acetyl-7-O-butanoyl-13-hydroxymyrsinol
Molecular Formula C32H44O12
Molecular Weight 620.69
CAS Registry Number 851615-17-3
SMILES C=C(C)C1C=CC(OC(=O)CCC)C2(COC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C(C)CC3(OC(C)=O)C(=O)C(C)(O)C12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia decipiens Aerial parts 0.000335% Nat Prod Res 19, 267-274 (2005). 10.1080/14786410410001714687
Properties
HBA 12 HBD 1
HeavyAtoms 44 AlogP 2.78
TPSA 168.80 RotatableBonds 9
FractionCSP3 0.69 Rings 3
AromaticRings 0 AliphaticRings 3