| SpectraBase Spectrum ID |
73QzxLPp2OO |
| Name |
Butanoic acid, 3-methyl-, 1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-4-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]cyclope nta[c]pyran-1-yl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]- |
| Alternate Name(s) |
(1S,4aR,7S,7aR)-7-methyl-6-oxo-4-{[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate
Ebuloside tetraacetate
Ebulosidtetraacetat
Isovaleriansaure-{1aa.alpha.,5,6,7,7a.alpha.-hexahydro-7.beta.-methyl-6-oxo-4-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyloxy)methyl]cyclopenta[c]pyran-1.beta.-yl}ester |
| CAS Registry Number |
103553-94-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40O14 |
| InChI |
InChI=1S/C29H40O14/c1-13(2)8-23(35)43-28-24-14(3)21(34)9-20(24)19(10-37-28)11-38-29-27(41-18(7)33)26(40-17(6)32)25(39-16(5)31)22(42-29)12-36-15(4)30/h10,13-14,20,22,24-29H,8-9,11-12H2,1-7H3/t14-,20+,22-,24+,25-,26+,27-,28+,29-/m1/s1 |
| InChIKey |
YSPZXXJVXHVWRY-ZEVQKOQDSA-N |
| Molecular Weight |
612.625 g/mol |
| SMILES |
[C@@]1([C@]([C@](OCC=2[C@]3([C@@]([C@](C)(C(C3)=O)[H])([H])[C@@](OC2)(OC(=O)CC(C)C)[H])[H])(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-052r-9000000000-d22729ad3ae3a2492faf |
| Source of Spectrum |
H-69-162-2 |
| Wiley ID |
1411037 |
![Butanoic acid, 3-methyl-, 1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-4-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]cyclope nta[c]pyran-1-yl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]-](/api/spectrum/73QzxLPp2OO/structure.png?h=300&w=458 "Butanoic acid, 3-methyl-, 1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-4-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]cyclope nta[c]pyran-1-yl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]-")
