TPCN03428

Name Spiro[furan-3(2H),6??-[6H]naphtho[1,8-bc]furan]-2??a(2??H)-carboxylic acid, 3??-(acetyloxy)-5-(3-furanyl)-3??,4,4??,5,5??,7??,8??,8??a-octahydro-7??-methyl-2-oxo-, methyl ester, (2??aS,3R,3??S,5S,7??R,8??aS)-
Molecular Formula C23H26O8
Molecular Weight 430.45
CAS Registry Number 2387823-66-5
SMILES COC(=O)C12COC3CC(C)C4(CC(c5ccoc5)OC4=O)C(=C31)CCC2OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Croton crassifolius Roots 0.000338% Natural Product Research, 35(9), 1421-1427 10.1080/14786419.2019.1652290
Properties
HBA 8 HBD 0
HeavyAtoms 31 AlogP 2.87
TPSA 101.27 RotatableBonds 3
FractionCSP3 0.61 Rings 5
AromaticRings 1 AliphaticRings 4