| SpectraBase Spectrum ID |
4iqu51ylOCL |
| Name |
A-nor-1,2-Secostigmastane-1,2-dioic acid, (5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.355260022 u |
| Formula |
C28H48O4 |
| InChI |
InChI=1S/C28H48O4/c1-7-19(17(2)3)9-8-18(4)22-12-13-23-21-11-10-20(16-25(29)30)28(6,26(31)32)24(21)14-15-27(22,23)5/h17-24H,7-16H2,1-6H3,(H,29,30)(H,31,32) |
| InChIKey |
JZSZSBOGIXDJCJ-UHFFFAOYSA-N |
| Molecular Weight |
448.688 g/mol |
| SMILES |
C12(C(C3CCC(C(C3CC2)(C(=O)O)C)CC(=O)O)CCC1C(CCC(C(C)C)CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895285 |
