| SpectraBase Spectrum ID |
LLgkQ7v3JqO |
| Name |
Androst-8(14)-en-3-one, 17,19-bis(acetyloxy)-4,4-dimethyl-, (5.alpha.,13.alpha.,17.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.256274254 u |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-15(26)29-14-25-13-11-21(28)23(3,4)20(25)8-6-17-18-7-9-22(30-16(2)27)24(18,5)12-10-19(17)25/h19-20,22H,6-14H2,1-5H3/t19-,20-,22-,24+,25-/m0/s1 |
| InChIKey |
VFSBILVLNNOUGK-CRVZWKQESA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
[C@@]12([C@@]3(C(=C4CC[C@@]([C@@]4(CC3)C)(OC(=O)C)[H])CC[C@]2(C(C)(C)C(CC1)=O)[H])[H])COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975411 |
