| SpectraBase Spectrum ID |
FREFMi58NL0 |
| Name |
(9S,11R,13S)-8-acetoxy-9,13-epoxy-17-nor-8,9-secolabdan-13-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-7-20(5)14-16(23)18(25-20)21(6)12-9-11-19(3,4)17(21)10-8-13-24-15(2)22/h16-18,23H,7-14H2,1-6H3/t16?,17?,18?,20?,21-/m0/s1 |
| InChIKey |
TYBQSKZWHAGPNC-PVPPHXKSSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
OC1C([C@@]2(C(C(CCC2)(C)C)CCCOC(=O)C)C)OC(CC)(C)C1 |
| SPLASH |
splash10-0udi-0009000000-f89ba25490432926a836 |
| Source of Spectrum |
B-44-433-0 |
| Synonyms |
3-{2-[(2S,5S)-5-ethyl-5-hydroxytetrahydro-2-furanyl]-2,6,6-trimethylcyclohexyl}-1-methylpropyl acetate
Acetic acid 3-[(S)-2-(5-ethyl-3-hydroxy-5-methyl-tetrahydro-furan-2-yl)-2,6,6-trimethyl-cyclohexyl]-propyl ester |
| Wiley ID |
1344816 |
