| SpectraBase Spectrum ID |
H2MYtcN67Ra |
| Name |
Androstan-17-one, 2,3-bis(acetyloxy)-, (2.alpha.,3.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.240624190 u |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-13(24)27-19-11-15-5-6-16-17-7-8-21(26)22(17,3)10-9-18(16)23(15,4)12-20(19)28-14(2)25/h15-20H,5-12H2,1-4H3/t15?,16-,17-,18-,19-,20+,22-,23-/m0/s1 |
| InChIKey |
DHQLCWJHDQWZLR-SJUIBDINSA-N |
| Molecular Weight |
390.520 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCC2C[C@](OC(=O)C)([C@@](C1)(OC(=O)C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94992 |
