TPCN02210

Name Butanoic acid, 2-(acetyloxy)-2-methyl-, (1R,2S,3R,4aR,5R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aS,5S,6aR)-hexahydro-5-methoxyfuro[2,3-b]furan-2-yl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2??-oxiran]-2-yl ester, (2R)-
Molecular Formula C32H46O13
Molecular Weight 638.71
CAS Registry Number 35470-80-5
SMILES CCC(C)(OC(C)=O)C(=O)OC1C(O)CC2C(C)(C3CC4CC(OC)OC4O3)C(C)=CC(OC(C)=O)C2(COC(C)=O)C12CO2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Clerodendron trichotomum Leaves 0.007160% J Nat Med 67, 404-409 (2013). 10.1007/s11418-012-0690-7
Properties
HBA 13 HBD 1
HeavyAtoms 45 AlogP 2.35
TPSA 165.65 RotatableBonds 9
FractionCSP3 0.81 Rings 5
AromaticRings 0 AliphaticRings 5