| SpectraBase Spectrum ID |
ANKk91X407w |
| Name |
4-Octanone, 5-(acetyloxy)-7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, [S-(R*,S*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-19(2)16-28(33)29(35-21(4)32)17-20(3)25-10-11-26-24-9-8-22-18-23(34-7)12-14-30(22,5)27(24)13-15-31(25,26)6/h19-20,22-27,29H,8-18H2,1-7H3/t20-,22+,23+,24+,25-,26+,27+,29+,30+,31-/m1/s1 |
| InChIKey |
GJUWNGJLKPQJFN-MRWNTWOKSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](C[C@@](C(CC(C)C)=O)(OC(=O)C)[H])(C)[H])[H])[H])C |
![4-Octanone, 5-(acetyloxy)-7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, [S-(R*,S*)]-](/api/spectrum/ANKk91X407w/structure.png?h=300&w=458 "4-Octanone, 5-(acetyloxy)-7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, [S-(R*,S*)]-")
