TPCN06104
![[object Object]](../../static/browser_molecular_png/TPCN06104.png)
| Name | 3-O-acetyldaturadiol |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.77 |
| CAS Registry Number | 41498-81-1 |
| SMILES | CC(=O)OC1CCC2(C)C(C(O)CC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mussaenda macrophylla | Aerial parts | 0.000850% | J Nat Prod . 1999 Oct;62(10):1379-84 | 10.1021/np9901579 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 35 | AlogP | 7.71 |
| TPSA | 46.53 | RotatableBonds | 1 |
| FractionCSP3 | 0.91 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |