| SpectraBase Spectrum ID |
6rkq72c6scr |
| Name |
17.beta.-Acetoxy-5.alpha.,6.alpha.-epoxyandrosten-3-one-3-ethylene ketal |
| 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)27-17-5-4-14-18-15(6-7-22(14,17)3)21(2)8-9-23(25-10-11-26-23)12-16(21)19-20(18)28-19/h14-20H,4-12H2,1-3H3/t14-,15-,16?,17-,18-,19+,20-,21+,22-/m0/s1 |
| InChIKey |
XAJSOMVAHPSVRN-RCHQUFMWSA-N |
| Molecular Weight |
390.520 g/mol |
| SMILES |
[C@@]12([C@@](C3[C@@](CCC4(C3)OCCO4)(C)[C@@]3([C@@]2([C@]2([C@]([C@@](OC(=O)C)(CC2)[H])(C)CC3)[H])[H])[H])(O1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922001 |
