| SpectraBase Spectrum ID |
ksHvrcsyJ2 |
| Name |
4-Octanone, 7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-19(2)17-22(30)9-7-20(3)25-11-12-26-24-10-8-21-18-23(31-6)13-15-28(21,4)27(24)14-16-29(25,26)5/h19-21,23-27H,7-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
OCMRIRVGDZNUKM-FBZNIEFRSA-N |
| Molecular Weight |
430.717 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@@](CCC(=O)CC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899535 |
![4-Octanone, 7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, (R)-](/api/spectrum/ksHvrcsyJ2/structure.png?h=300&w=458 "4-Octanone, 7-[(3.beta.,5.alpha.,17.beta.)-3-methoxyandrostan-17-yl]-2-methyl-, (R)-")
