| SpectraBase Spectrum ID |
BWngpz2GUJu |
| Name |
2,6.beta.,17.beta.-Trihydroxy-6.alpha.-pentyl-2,3-seco-5.alpha.-androstan-3-oic acid .gamma.-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-4-5-6-10-24-15-16-17-7-8-20(26)23(17,3)11-9-18(16)22(2,12-13-25)19(24)14-21(27)28-24/h16-20,25-26H,4-15H2,1-3H3 |
| InChIKey |
QOTAZPQICOZWMV-UHFFFAOYSA-N |
| Molecular Weight |
392.580 g/mol |
| SMILES |
C(O)CC1(C2C(CC3C1CCC1(C3CCC1O)C)(CCCCC)OC(C2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957552 |
