| SpectraBase Spectrum ID |
FtFILnns8r6 |
| Name |
Estr-5(10)-en-3,17-diol, (3.alpha., 17.beta.)-, 17-propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h14,16-19,22H,3-12H2,1-2H3/t14-,16-,17-,18+,19+,21+/m1/s1 |
| InChIKey |
GZWAZROZOCUQLD-VRVOIDQVSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
[C@@]1(CCC2=C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(CC)=O)[H])[H])C)[H])[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844178 |
