TPCN06346

Name 7??-methoxymultiflor-8-ene-3??,29-diol 3,29-dibenzoate
Molecular Formula C45H60O5
Molecular Weight 680.97
CAS Registry Number 1708107-40-7
SMILES COC1CC2C(C)(CCC(OC(=O)c3ccccc3)C2(C)C)C2=C1C1(C)CCC3(C)CCC(C)(COC(=O)c4ccccc4)CC3C1(C)CC2
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Cucurbita maxima Seeds 0.000010% Molecules . 2014 Apr 16;19(4):4802-13 10.3390/molecules19044802
Properties
HBA 5 HBD 0
HeavyAtoms 50 AlogP 10.64
TPSA 61.83 RotatableBonds 6
FractionCSP3 0.64 Rings 7
AromaticRings 2 AliphaticRings 5