| SpectraBase Spectrum ID |
DyZAXInEomV |
| Name |
2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-14-20(6-7-22(27)28)29-21-13-19-17-5-4-15-12-16(26)8-10-24(15,2)18(17)9-11-25(19,3)23(14)21/h14-21,23,26H,4-13H2,1-3H3,(H,27,28) |
| InChIKey |
WEBIGGMMPNOWDP-UHFFFAOYSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(=O)O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932508 |
![2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-ol](/api/spectrum/DyZAXInEomV/structure.png?h=300&w=458 "2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-ol")
