| SpectraBase Spectrum ID |
GyZHkgRUu88 |
| Name |
17-.alpha.-Hexyl-3-methoxy-estra-1,3,5(10),8(14)-tetraen-17.beta.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.271530397 u |
| Formula |
C25H36O2 |
| InChI |
InChI=1S/C25H36O2/c1-4-5-6-7-14-25(26)16-13-23-22-10-8-18-17-19(27-3)9-11-20(18)21(22)12-15-24(23,25)2/h9,11,17,21,26H,4-8,10,12-16H2,1-3H3/t21-,24+,25+/m1/s1 |
| InChIKey |
APXVGYYEDHDGJI-ZODMCCGTSA-N |
| Molecular Weight |
368.561 g/mol |
| SMILES |
C12=C3[C@](C=4C=CC(=CC4CC3)OC)([H])CC[C@@]2([C@](O)(CCCCCC)CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884588 |
