| SpectraBase Spectrum ID |
4bUtAZFuvQ |
| Name |
Cylindrol A4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39ClO6 |
| InChI |
InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23?,28+/m1/s1 |
| InChIKey |
CJUHWKPMXGYAGR-AUEKVLTISA-N |
| Molecular Weight |
507.067 g/mol |
| SMILES |
Oc1c(c(c(c(c1C\C=C\(C(C[C@@]1([C@](C(=O)CC[C@]1(C)[H])(C)[H])C)OC(=O)CC(C)C)C)O)C=O)C)Cl |
| SPLASH |
splash10-0frk-5990100000-4d8b6b51f55e7c5a310c |
| Source of Spectrum |
J-61-7734-1 |
| Synonyms |
(2E)-4-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2-methyl-1-{[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]methyl}-2-butenyl 3-methylbutanoate |
| Wiley ID |
1399855 |
