TPCN01525
Name | 1??,6??,8??,15-tetraacetoxy-9??-benzoyloxy-4??-hydroxy-??-dihydroagarofuran |
Molecular Formula | C30H38O12 |
Molecular Weight | 590.62 |
CAS Registry Number | 248927-76-6 |
SMILES | CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O |
Classify | Sesquiterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Celastraceae | Maytenus macrocarpa | Leaves | 0.000355% | J Nat Prod 62(11): 1576-1577.(1999) | 10.1021/np990232f |
Properties
HBA | 12 | HBD | 1 |
HeavyAtoms | 42 | AlogP | 2.28 |
TPSA | 160.96 | RotatableBonds | 7 |
FractionCSP3 | 0.63 | Rings | 4 |
AromaticRings | 1 | AliphaticRings | 3 |