| SpectraBase Spectrum ID |
R0NCpSSTvc |
| Name |
(3S,4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-4-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.361094295 u |
| Formula |
C27H47FO |
| InChI |
InChI=1S/C27H47FO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-25,29H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1 |
| InChIKey |
DVIRBCDIDKGGLB-ZXQYGXPFSA-N |
| Molecular Weight |
406.670 g/mol |
| SMILES |
[C@]1(CC[C@]2([C@]([C@@]1(F)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916129 |
![(3S,4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/R0NCpSSTvc/structure.png?h=300&w=458 "(3S,4S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-4-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol")
