| SpectraBase Spectrum ID |
4i41NFNVOS |
| Name |
(E,14RS)-8,14-diacetoxy-17-nor-8,9-secolabd-9(11)-en-13-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H40O5 |
| InChI |
InChI=1S/C23H40O5/c1-17(28-19(3)25)23(7,26)15-10-14-22(6)13-9-12-21(4,5)20(22)11-8-16-27-18(2)24/h10,14,17,20,26H,8-9,11-13,15-16H2,1-7H3/b14-10+/t17?,20-,22+,23?/m0/s1 |
| InChIKey |
CZZXBSMIUMXYMY-ZOUSNPKLSA-N |
| Molecular Weight |
396.568 g/mol |
| SMILES |
OC(C\C=C\[C@@]1([C@](C(C)(C)CCC1)(CCCOC(=O)C)[H])C)(C(OC(=O)C)C)C |
| SPLASH |
splash10-000b-0009000000-cc861832443c92cb7903 |
| Source of Spectrum |
B-44-433-0 |
| Synonyms |
(2R,4E)-5-{(1R,2R)-2-[(3S)-3-(acetyloxy)butyl]-3,3-dimethylcyclohexyl}-2-hydroxy-1,2-dimethyl-4-pentenyl acetate |
| Wiley ID |
1367579 |
