| SpectraBase Spectrum ID |
8GjBiHsp3vQ |
| Name |
26,27-Dinorcholestane, 3-methoxy-24-(2-methylcyclopropyl)-, [3.beta.,5.alpha.,24R(1R,2R)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.401816293 u |
| Formula |
C30H52O |
| InChI |
InChI=1S/C30H52O/c1-19(25-17-21(25)3)7-8-20(2)26-11-12-27-24-10-9-22-18-23(31-6)13-15-29(22,4)28(24)14-16-30(26,27)5/h19-28H,7-18H2,1-6H3/t19-,20-,21?,22+,23+,24+,25?,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
UIQSEAZETPVHSV-QKARWFERSA-N |
| Molecular Weight |
428.745 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@@](CC[C@](C1CC1C)(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91961 |
![26,27-Dinorcholestane, 3-methoxy-24-(2-methylcyclopropyl)-, [3.beta.,5.alpha.,24R(1R,2R)]-](/api/spectrum/8GjBiHsp3vQ/structure.png?h=300&w=458 "26,27-Dinorcholestane, 3-methoxy-24-(2-methylcyclopropyl)-, [3.beta.,5.alpha.,24R(1R,2R)]-")
