TPCN05743

Name 26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3,29-dibenzoate, (3??,13??,14??,20??)- (ACI);Multiflora-7,9(11)-diene_x0002_3??,29-diol 3,29-dibenzoate
Molecular Formula C44H56O4
Molecular Weight 648.93
CAS Registry Number 389122-01-4
SMILES CC1(COC(=O)c2ccccc2)CCC2(C)CCC3(C)C4=CCC5C(C)(CCC(OC(=O)c6ccccc6)C5(C)C)C4=CCC3(C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Gymnopetalum integrifolium Fruits 0.001267% Chem Pharm Bull (Tokyo). 2002 May;50(5):645-8. 10.1248/cpb.50.645.
Cucurbitaceae Cucurbita maxima Seeds 0.000280% Molecules . 2014 Apr 16;19(4):4802-13 10.3390/molecules19044802
Properties
HBA 4 HBD 0
HeavyAtoms 48 AlogP 10.79
TPSA 52.60 RotatableBonds 5
FractionCSP3 0.59 Rings 7
AromaticRings 2 AliphaticRings 5