Características Generales
| NatID | 1687 |
| Nombre Común | NatID_1687 |
| Fórmula Molecular | C26H42O |
| Tipo Químico | Steroids and steroid derivatives > Hydroxysteroids |
| Peso Molecular | 370.324 g/mol |
| Otros nombres | 38788-81-7 |
Representaciones
| Smiles | CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| Inchi | InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6+/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| Inchi Key | BKWBRNDZAJHCMT-LMLIWZCBSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 6.77 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Enlaces Rotables | 3 |
| Anillos aromáticos | 0 |
| Átomos pesados | 27 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10406 | Aulacomya atra | No | Low | Romero, M. S., & Seldes, A. M. (1983). Sterol Composition of the Mollusk Aulacomya ater. Journal of Natural Products, 46(4), 588–590. https://doi.org/10.1021/np50028a030 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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