| SpectraBase Spectrum ID |
GwUxZt7pm0 |
| Name |
(9R,11S,14RS)-8-acetoxy-11,14-epoxy-17-nor-8,9-secolabdane-9,13-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O5 |
| InChI |
InChI=1S/C21H38O5/c1-14-21(6,24)13-16(26-14)18(23)20(5)11-8-10-19(3,4)17(20)9-7-12-25-15(2)22/h14,16-18,23-24H,7-13H2,1-6H3/t14?,16-,17?,18-,20-,21?/m0/s1 |
| InChIKey |
ZEDVWWLFUQRXIA-CDPLUKKNSA-N |
| Molecular Weight |
370.530 g/mol |
| SMILES |
OC1(C(O[C@]([C@@]([C@@]2(C(C(C)(C)CCC2)CCCOC(=O)C)C)(O)[H])(C1)[H])C)C |
| SPLASH |
splash10-0uk9-0009000000-b5794d28cbc57cda1af7 |
| Source of Spectrum |
B-44-433-0 |
| Synonyms |
(2S)-4-[(1R,6S)-6-[(R)-hydroxy[(2S,4R)-4-hydroxy-4,5-dimethyloxolan-2-yl]methyl]-2,2-dimethylcyclohexyl]butan-2-yl acetate |
| Wiley ID |
1354411 |
