| SpectraBase Spectrum ID |
J7f2obRTj22 |
| Name |
1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Alternate Name(s) |
1-[(3S,8R,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,15-17,19,23H,5-6,8-12H2,1-3H3/t15-,16-,17+,19-,20-,21+/m0/s1 |
| InChIKey |
XUTXUYNYUKSWRF-LZQVICCCSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
O[C@@]1(CC2=CC[C@]3(C=4[C@@]([C@@](C(=O)C)(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H] |
| SPLASH |
splash10-03di-0039000000-bf035a8ccf1cd98629b2 |
| Source of Spectrum |
OP-24-161-5 |
| Wiley ID |
850412 |
![1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone](/api/spectrum/J7f2obRTj22/structure.png?h=300&w=458 "1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone")
