| SpectraBase Spectrum ID |
GGKXC0l3iDI |
| Name |
Methyl 3.alpha.,4.beta.-dihydroxyneo-clerodan-15-olate |
| Alternate Name(s) |
Methyl 5-[(1S,2R,4aR,5R,6R)-5,6-dihydroxy-1,2,4a,5-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-14(13-18(23)25-6)9-11-19(3)15(2)10-12-20(4)16(19)7-8-17(22)21(20,5)24/h14-17,22,24H,7-13H2,1-6H3/t14?,15-,16?,17-,19+,20-,21+/m1/s1 |
| InChIKey |
SIPUAJNOWFIDSZ-ZFKJGRKXSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
O[C@]1([C@@](CCC2[C@]1(CC[C@]([C@@]2(CCC(CC(=O)OC)C)C)(C)[H])C)(O)[H])C |
| SPLASH |
splash10-0pb9-7947000000-42c2adea63ab4ffed339 |
| Source of Spectrum |
F-50-10798-11 |
| Wiley ID |
789407 |
