| SpectraBase Spectrum ID |
FZHdGvnaFxZ |
| Name |
27-Norergostan-3-ol, 23-methyl-, (3.beta.,5.alpha.,23R,24S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.386166229 u |
| Formula |
C28H50O |
| InChI |
InChI=1S/C28H50O/c1-7-18(2)19(3)16-20(4)24-10-11-25-23-9-8-21-17-22(29)12-14-27(21,5)26(23)13-15-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t18-,19+,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey |
KIZAVIVPCGOFHA-JRLLULJLSA-N |
| Molecular Weight |
402.707 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](C[C@]([C@](CC)(C)[H])(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885169 |
