| SpectraBase Spectrum ID |
4rLWt91GKuA |
| Name |
Androstane-3,7,12,17-tetrol, 3,7,12-triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.261753557 u |
| Formula |
C25H38O7 |
| InChI |
InChI=1S/C25H38O7/c1-13(26)30-17-8-9-24(4)16(10-17)11-20(31-14(2)27)23-18-6-7-21(29)25(18,5)22(12-19(23)24)32-15(3)28/h16-23,29H,6-12H2,1-5H3/t16?,17-,18+,19+,20-,21?,22+,23+,24+,25+/m1/s1 |
| InChIKey |
UWCFDBARCBKYAF-DFUMSNKUSA-N |
| Molecular Weight |
450.572 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C[C@@]2(OC(=O)C)[H])[H])(CC[C@@](OC(=O)C)(C4)[H])C)(OC(=O)C)[H])[H])(CCC1O)[H])C |
