| SpectraBase Spectrum ID |
Js7u6S7c7qt |
| Name |
(8R,9S,13S,14S,17S)-17-(5-Chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[A]phenanthrene-3,17-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.185607872 u |
| Formula |
C23H29ClO2 |
| InChI |
InChI=1S/C23H29ClO2/c1-22-12-9-19-18-8-6-17(25)15-16(18)5-7-20(19)21(22)10-13-23(22,26)11-3-2-4-14-24/h6,8,15,19-21,25-26H,2,4-5,7,9-10,12-14H2,1H3/t19-,20-,21+,22+,23+/m1/s1 |
| InChIKey |
FWEPFTONACOHPY-VROINQGHSA-N |
| Molecular Weight |
372.936 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(O)=C4)[H])(CC[C@]1(C#CCCCCl)O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859321 |
![(8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/Js7u6S7c7qt/structure.png?h=300&w=458 "(8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
