| SpectraBase Spectrum ID |
3thK5AUw66E |
| Name |
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[[2,3,4-tri-O-acetyl-6-O -[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, [1S-[1.alpha.(E),4a.alpha.,7.alpha.,7a.alpha.]]- |
| Alternate Name(s) |
Ladroside pentaacetate
Methyl (1R,4aR,7S,7aR)-7-hydroxy-7-methyl-1-[(2,3,4-tri-O-acetyl-6-O-{(2E)-3-[3,4-bis(acetyloxy)phenyl]-2-propenoyl}-.beta.-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| CAS Registry Number |
76994-11-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H42O18 |
| InChI |
InChI=1S/C36H42O18/c1-17(37)48-25-10-8-22(14-26(25)49-18(2)38)9-11-28(42)46-16-27-30(50-19(3)39)31(51-20(4)40)32(52-21(5)41)35(53-27)54-34-29-23(12-13-36(29,6)44)24(15-47-34)33(43)45-7/h8-11,14-15,23,27,29-32,34-35,44H,12-13,16H2,1-7H3/b11-9+/t23-,27+,29-,30+,31-,32+,34+,35-,36-/m0/s1 |
| InChIKey |
JVEJPRPOAUIWQE-LFIGYIEUSA-N |
| Molecular Weight |
762.714 g/mol |
| SMILES |
O[C@@]1([C@]2([C@](C(=CO[C@@]2(O[C@]2([C@@]([C@@](OC(=O)C)([C@@]([C@](O2)(COC(\C=C\c2cc(OC(=O)C)c(cc2)OC(=O)C)=O)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])[H])C(=O)OC)(CC1)[H])[H])C |
| SPLASH |
splash10-00kf-5910000000-caf612df6bdfc86bfc3f |
| Source of Spectrum |
H-64-23-0 |
| Wiley ID |
1416547 |
![Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[[2,3,4-tri-O-acetyl-6-O -[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, [1S-[1.alpha.(E),4a.alpha.,7.alpha.,7a.alpha.]]-](/api/spectrum/3thK5AUw66E/structure.png?h=300&w=458 "Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-1-[[2,3,4-tri-O-acetyl-6-O -[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, [1S-[1.alpha.(E),4a.alpha.,7.alpha.,7a.alpha.]]-")
