TPCN03020

Name 14-Deoxo-3b-O-propinoyl-2a,5a,7b,15b-tetra-O-acetyl-14a-O-benzoyl-myrsinol
Molecular Formula C38H46O13
Molecular Weight 710.77
CAS Registry Number 1648894-29-4
SMILES C=C(C)C1C=CC(OC(C)=O)C23COC(C)(C(OC(=O)c4ccccc4)C4(OC(C)=O)CC(C)(OC(C)=O)C(OC(=O)CC)C4C2OC(C)=O)C13
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia dracunculoides Whole plants 0.000100% Nat Prod Res 29, 1406-1413 (2015). 10.1080/14786419.2014.1002089
Properties
HBA 13 HBD 0
HeavyAtoms 51 AlogP 4.21
TPSA 167.03 RotatableBonds 9
FractionCSP3 0.58 Rings 5
AromaticRings 1 AliphaticRings 4