| SpectraBase Spectrum ID |
3ymJEGb74sv |
| Name |
Spirosol-5-en-3-ol, 28-acetyl-, acetate, (3.beta.,22.alpha.,25R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.350508993 u |
| Formula |
C31H47NO4 |
| InChI |
InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3 |
| InChIKey |
CUIHFVBXGFUGAP-UHFFFAOYSA-N |
| Molecular Weight |
497.720 g/mol |
| SMILES |
C12OC3(N(CC(CC3)C)C(C)=O)C(C1C1(C)CCC3C(C1C2)CC=C1C3(C)CCC(C1)OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840837 |
