| SpectraBase Spectrum ID |
KIzWhx91fbz |
| Name |
17.alpha.-Methyl-1,3-seco-2-nor-5.alpha.-androstane-1,3,17.alpha.-triol 1-acetate |
| Alternate Name(s) |
[(3S,3aS,5aS,6S,7R,9aR,9bS)-3-hydroxy-7-(2-hydroxyethyl)-3,3a,6-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-14(23)25-13-19(2)15(9-12-22)5-6-16-17(19)7-10-20(3)18(16)8-11-21(20,4)24/h15-18,22,24H,5-13H2,1-4H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey |
DNRRNFPPTVJNKI-OGNRNXDYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
OCC[C@]1(CC[C@]2([C@]3([C@@]([C@](CC3)(O)C)(CC[C@@]2([C@]1(COC(=O)C)C)[H])C)[H])[H])[H] |
| SPLASH |
splash10-05mo-0090000000-241f2f785e84ce109bf7 |
| Source of Spectrum |
KD-14-2785-10 |
| Wiley ID |
1636358 |
