| SpectraBase Spectrum ID |
3vzz4nM3XF3 |
| Name |
Methyl 8-hydroxy-12-oxo-labdan-15-oate |
| Alternate Name(s) |
Methyl (3R)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-4-oxopentanoate |
| CAS Registry Number |
105424-22-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-14(12-18(23)25-6)15(22)13-17-20(4)10-7-9-19(2,3)16(20)8-11-21(17,5)24/h14,16-17,24H,7-13H2,1-6H3/t14-,16+,17-,20+,21-/m1/s1 |
| InChIKey |
NKYFUSJAKJCTRQ-ZFCUWQNASA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
O[C@]1([C@@]([C@@]2([C@](C(C)(C)CCC2)(CC1)[H])C)(CC([C@@](CC(=O)OC)(C)[H])=O)[H])C |
| SPLASH |
splash10-00fu-0900000000-cb21f121e7206cb57620 |
| Source of Spectrum |
F-42-4572-16 |
| Wiley ID |
1343512 |
