| SpectraBase Spectrum ID |
8MMCSt5W53A |
| Name |
19-Norcholest-8(14)-ene, 5-methyl-, (5.beta.,9.xi.,10.xi.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.359951481 u |
| Formula |
C27H46 |
| InChI |
InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-12-13-25-22-14-17-26(4)16-7-6-11-24(26)21(22)15-18-27(23,25)5/h19-21,23-24H,6-18H2,1-5H3/t20-,21+,23-,24-,26?,27-/m1/s1 |
| InChIKey |
PFABLUDNBBJDIP-SKHYPPPVSA-N |
| Molecular Weight |
370.665 g/mol |
| SMILES |
C=12[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@]2(C1CCC1(C)CCCC[C@]21[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907234 |
