| SpectraBase Spectrum ID |
YtXDBXaDcl |
| Name |
(20R)-12(13->14)-Abeo-5.alpha.-cholesta-8,13(17)-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.344301417 u |
| Formula |
C27H44 |
| InChI |
InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-17-27(21(23)4)18-15-24-25(27)13-12-22-11-6-7-16-26(22,24)5/h19-20,22H,6-18H2,1-5H3/t20-,22-,26+,27+/m1/s1 |
| InChIKey |
LAHZLWICWZKZRT-IOHLROGTSA-N |
| Molecular Weight |
368.649 g/mol |
| SMILES |
[C@@]12(C3=C([C@@]4(C)CCCC[C@@]4(CC3)[H])CC2)C(=C([C@@](CCCC(C)C)(C)[H])CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914144 |
