| SpectraBase Spectrum ID |
7O9GiBYc3QZ |
| Name |
9(S)-15-Acetoxy-8-oxo-8,9-seco-9-iodo-labdane |
| Alternate Name(s) |
(6S)-6-iodo-3-methyl-6-[(1S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]hexyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H39IO3 |
| InChI |
InChI=1S/C22H39IO3/c1-16(12-15-26-18(3)25)8-11-20(23)22(6)14-7-13-21(4,5)19(22)10-9-17(2)24/h16,19-20H,7-15H2,1-6H3/t16-,19?,20-,22-/m0/s1 |
| InChIKey |
HCEIUVOZMSWMSK-TZLVQLHLSA-N |
| Molecular Weight |
478.455 g/mol |
| SMILES |
[C@@]1(C(C(C)(C)CCC1)CCC(=O)C)([C@](CC[C@@](CCOC(=O)C)(C)[H])(I)[H])C |
| SPLASH |
splash10-055b-2902000000-7c7636ff50a7cbd674af |
| Source of Spectrum |
F-48-10395-9 |
| Wiley ID |
1394661 |
