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 |