| SpectraBase Spectrum ID |
IdyQ0MeNr2N |
| Name |
26,27-Dinorcholestane, 3-methoxy-24-(2-methyl-1-propenyl)-, (3.beta.,5.alpha.,24R)- |
| 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/c1-20(2)18-21(3)8-9-22(4)26-12-13-27-25-11-10-23-19-24(31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h18,21-28H,8-17,19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
CRGHHBFWNZQAQM-JHLRFVRYSA-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@](C=C(C)C)(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884164 |
