| SpectraBase Spectrum ID |
DAgeRmj8yvl |
| Name |
Grandidentatin, pentaacetate |
| CAS Registry Number |
18265-34-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38O14 |
| InChI |
InChI=1S/C31H38O14/c1-17(32)38-16-26-28(41-20(4)35)29(42-21(5)36)30(31(44-26)43-25-9-7-6-8-24(25)40-19(3)34)45-27(37)15-12-22-10-13-23(14-11-22)39-18(2)33/h10-15,24-26,28-31H,6-9,16H2,1-5H3/b15-12+ |
| InChIKey |
UIBYWCMJZAVRIP-NTCAYCPXSA-N |
| Molecular Weight |
634.631 g/mol |
| SMILES |
CC(=O)OCC1OC(OC2CCCCC2OC(C)=O)C(OC(=O)\C=C\c2ccc(OC(C)=O)cc2)C(OC(C)=O)C1OC(C)=O |
| SPLASH |
splash10-0005-8900000000-7bf8cdd6f56d6d246855 |
| Source of Spectrum |
AD-0-1968-0 |
| Synonyms |
(E)-3-(4-acetyloxyphenyl)-2-propenoic acid [4,5-diacetyloxy-2-(2-acetyloxycyclohexyl)oxy-6-(acetyloxymethyl)-3-oxanyl] ester
[4,5-diacetoxy-2-(2-acetoxycyclohexoxy)-6-(acetoxymethyl)tetrahydropyran-3-yl] (E)-3-(4-acetoxyphenyl)prop-2-enoate
Grandidentatin pentaacetate
[4,5-diacetyloxy-2-(2-acetyloxycyclohexyl)oxy-6-(acetyloxymethyl)oxan-3-yl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate
(E)-6-((2-acetoxycyclohexyl)oxy)-2-(acetoxymethyl)-5-((3-(4-acetoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-3,4-diyl diacetate |
| Wiley ID |
65678 |
