| SpectraBase Spectrum ID |
B4v1y2HuqYn |
| Name |
(3R,5R,9R,10S,13R,17S)-10,13-Dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene-17-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.243995493 u |
| Formula |
C28H38O5S |
| InChI |
InChI=1S/C28H38O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,24-25H,7,10-17H2,1-4H3/t19-,20-,24+,25-,27+,28+/m1/s1 |
| InChIKey |
KRPNETQPPUYJPT-RHOCCSNNSA-N |
| Molecular Weight |
486.667 g/mol |
| SMILES |
[C@@]1(OS(C=2C=CC(=CC2)C)(=O)=O)(C[C@]2(CCC3=C4CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(C(=O)OC)[H])[H])[H] |
![(3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester](/api/spectrum/B4v1y2HuqYn/structure.png?h=300&w=458 "(3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester")
