| SpectraBase Spectrum ID |
J7LfzDfs6Lv |
| Name |
Estra-5(10)-en-3-one-17-ol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h16-19H,3-11H2,1-2H3/t16-,17-,18+,19?,20+/m1/s1 |
| InChIKey |
JKSYUQKNAOZGAO-QDSUGMFFSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C1(CCC2=C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2OC(=O)C)[H])C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955209 |
