| SpectraBase Spectrum ID |
2rUu4DZp8C |
| Name |
Cylindrol A2 |
| Alternate Name(s) |
(2E)-4-(3-formyl-2,6-dihydroxy-4-methylphenyl)-2-methyl-1-{[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]methyl}-2-butenyl butyrate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O6 |
| InChI |
InChI=1S/C27H38O6/c1-7-8-25(31)33-24(14-27(6)18(4)10-12-22(29)19(27)5)16(2)9-11-20-23(30)13-17(3)21(15-28)26(20)32/h9,13,15,18-19,24,30,32H,7-8,10-12,14H2,1-6H3/b16-9+/t18-,19+,24?,27+/m0/s1 |
| InChIKey |
DBCUFKATVZDLLO-VZZDRXEXSA-N |
| Molecular Weight |
458.595 g/mol |
| SMILES |
Oc1c(c(c(c(c1)C)C=O)O)C\C=C\(C(C[C@]1([C@@](C(=O)CC[C@@]1(C)[H])(C)[H])C)OC(=O)CCC)C |
| SPLASH |
splash10-015j-3690000000-be53ff9077d9ba6826fa |
| Source of Spectrum |
J-61-7734-1 |
| Wiley ID |
1389927 |
