Estriol | SBID = 31 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 60.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 6.0 | ||
| 3D Volume/Å3: | 225.3 | ||
| Sum Formula: | C18H24O3 | ||
| M / g/mol: | 288.387 | ||
| Complexity: | 411.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: steroid
- Name: Estriol
- Preferred Abbreviation: Estriol
- IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
- CAS: 50-27-1
- CID: 5756
- InChiKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N
- InChi: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
- CanoSmiles: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
- IsoSmiles: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
