| SpectraBase Spectrum ID |
9QabsRlVTaM |
| Name |
(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(iodomethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Alternate Name(s) |
(8R,9S,10R,13R,14S,17S)-17-ethanoyl-13-(iodanylmethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29IO2 |
| InChI |
InChI=1S/C21H29IO2/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h11,16-19H,3-10,12H2,1-2H3/t16-,17-,18+,19+,20+,21+/m1/s1 |
| InChIKey |
BLINEFPHYBEFGD-OFELHODLSA-N |
| Molecular Weight |
440.365 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1(C(=O)C)[H])[H])CI |
| SPLASH |
splash10-03do-0099000000-9842c9a89f79daf5a836 |
| Source of Spectrum |
OP-24-703-4 |
| Wiley ID |
850357 |
![(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(iodomethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one](/api/spectrum/9QabsRlVTaM/structure.png?h=300&w=458 "(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(iodomethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one")
