| SpectraBase Spectrum ID |
B5FnWSuqZur |
| Name |
Androst-16-ene-17-carboxylic acid, 3-oxo-, methyl ester, (5.beta.)- |
| Alternate Name(s) |
17-Carbomethoxy-5.beta.-androst-16(17)en-3-one
Methyl (5beta)-3-oxoandrost-16-ene-17-carboxylate |
| CAS Registry Number |
50305-76-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h7,13,15-17H,4-6,8-12H2,1-3H3/t13-,15+,16+,17+,20+,21+/m1/s1 |
| InChIKey |
GKZLLRJKEQJZIO-XNJBVXAQSA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
[C@@]12(C(=CC[C@]2([C@@]2(CC[C@]3([C@@]([C@]2(CC1)[H])(CCC(=O)C3)C)[H])[H])[H])C(=O)OC)C |
| SPLASH |
splash10-05bf-9430000000-712175f0d3e174b2d8a5 |
| Source of Spectrum |
C-98-4900-0 |
| Wiley ID |
1328247 |
