| SpectraBase Spectrum ID |
4kX1o3id8Ml |
| Name |
6-Pentyl-4-nor-3,5-secoandrostane-3,5.beta.,17.beta.-triol 3,17-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.334524576 u |
| Formula |
C27H46O5 |
| InChI |
InChI=1S/C27H46O5/c1-6-7-8-10-20-17-21-22-11-12-24(32-19(3)29)26(22,4)15-13-23(21)27(5,25(20)30)14-9-16-31-18(2)28/h20-25,30H,6-17H2,1-5H3 |
| InChIKey |
HYOPZFVAWRLIJQ-UHFFFAOYSA-N |
| Molecular Weight |
450.660 g/mol |
| SMILES |
C(CCC1(C(O)C(CC2C1CCC1(C2CCC1OC(C)=O)C)CCCCC)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92586 |
