| SpectraBase Spectrum ID |
4lXjIQo6AIS |
| Name |
17.alpha.-Methyl-1,3-seco-2-nor-5.alpha.-androstane-1,3,17.alpha.-triol 3-acetate |
| Alternate Name(s) |
2-[(3S,3aS,5aS,6S,7R,9aR,9bS)-3-hydroxy-6-(hydroxymethyl)-3,3a,6-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-7-yl]ethyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-14(23)25-12-9-15-5-6-16-17(19(15,2)13-22)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 |
MKHDJFKSVRDXPQ-OGNRNXDYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
OC[C@]1([C@](CC[C@]2([C@]3([C@@]([C@](CC3)(O)C)(CC[C@]12[H])C)[H])[H])(CCOC(=O)C)[H])C |
| SPLASH |
splash10-0ar3-0090000000-22e6266b3c868bb21505 |
| Source of Spectrum |
KD-14-2784-9 |
| Wiley ID |
1636359 |
