| SpectraBase Spectrum ID |
J7YL0HEvkEl |
| Name |
3,3-Ethylenedioxy-5.beta.-androstan-16.alpha.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-19-6-5-17-16(18(19)11-15(22)13-19)4-3-14-12-21(23-9-10-24-21)8-7-20(14,17)2/h14-18,22H,3-13H2,1-2H3/t14-,15-,16-,17+,18+,19-,20+/m1/s1 |
| InChIKey |
RSOKIRMXGAGMID-DUBPVYKHSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(C[C@@](O)(C[C@]4(CC3)C)[H])[H])([H])CC[C@@]2(CC2(CC1)OCCO2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831304 |
