| SpectraBase Spectrum ID |
Ce2YBaadGui |
| Name |
3.beta.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-androstan-17-oic acid |
| Alternate Name(s) |
(2S,4aS,4bS,7S,8aS,10aR)-7-(acetyloxy)-1-(2-amino-2-oxoethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenecarboxylic acid |
| CAS Registry Number |
75886-27-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H33NO5 |
| InChI |
InChI=1S/C21H33NO5/c1-12(23)27-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3,19(25)26)17(15)11-18(22)24/h13-17H,4-11H2,1-3H3,(H2,22,24)(H,25,26)/t13-,14-,15+,16-,17?,20-,21-/m0/s1 |
| InChIKey |
KWKOZXMGJLGRBA-ZRZDDULNSA-N |
| Molecular Weight |
379.497 g/mol |
| SMILES |
NC(CC1[C@@]2(CC[C@@]3([C@@]([C@]2(CC[C@@]1(C(=O)O)C)[H])(CC[C@@](C3)(OC(=O)C)[H])C)[H])[H])=O |
| SPLASH |
splash10-0ufr-0079000000-3bc0b1b121f776527109 |
| Source of Spectrum |
AJ-56-355-3 |
| Wiley ID |
1359290 |
