TPCN06342

Name 7??-hydroxymultiflor-8-ene_x0002_3??,29-diol 3-acetate-29-benzoate
Molecular Formula C39H56O5
Molecular Weight 604.87
CAS Registry Number 1708107-38-3
SMILES CC(=O)OC1CCC2(C)C3=C(C(O)CC2C1(C)C)C1(C)CCC2(C)CCC(C)(COC(=O)c4ccccc4)CC2C1(C)CC3
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Cucurbita maxima Seeds 0.000016% Molecules . 2014 Apr 16;19(4):4802-13 10.3390/molecules19044802
Properties
HBA 5 HBD 1
HeavyAtoms 44 AlogP 8.69
TPSA 72.83 RotatableBonds 4
FractionCSP3 0.74 Rings 6
AromaticRings 1 AliphaticRings 5