| SpectraBase Spectrum ID |
DEcxd378QkC |
| Name |
Androstane-3,7,12,17-tetrol, 7,12,17-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)30-20-11-16-10-17(29)8-9-24(16,4)19-12-22(32-15(3)28)25(5)18(23(19)20)6-7-21(25)31-14(2)27/h16-23,29H,6-12H2,1-5H3 |
| InChIKey |
KQVCGNQZEAYAMX-UHFFFAOYSA-N |
| Molecular Weight |
450.572 g/mol |
| SMILES |
[C@@]1(CC[C@]2([C@@](C1)(C[C@]([C@@]1([C@@]2(C[C@](OC(=O)C)([C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])[H])[H])(OC(=O)C)[H])[H])C)(O)[H] |
