| SpectraBase Spectrum ID |
8PnHy2ke9hv |
| Name |
6.alpha.-Pentyl-4-oxa-5.beta.-androstane-3,17-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-4-5-6-7-15-14-16-17-8-9-19(24)22(17,2)12-10-18(16)23(3)13-11-20(25)26-21(15)23/h15-18,21H,4-14H2,1-3H3/t15-,16-,17-,18-,21-,22-,23+/m0/s1 |
| InChIKey |
KQMYQGXQFNQTOL-VCENLASZSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
[C@@]12(OC(CC[C@@]2([C@@]2([C@@](C[C@@]1(CCCCC)[H])([C@]1([C@](C(CC1)=O)(C)CC2)[H])[H])[H])C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854547 |
