| SpectraBase Compound ID | gA5dDhSia |
|---|---|
| InChI | InChI=1S/C60H98O30/c1-22-7-12-60(80-18-22)23(2)36-32(90-60)14-28-26-6-5-24-13-25(8-10-58(24,3)27(26)9-11-59(28,36)4)81-56-50(89-55-46(76)47(40(70)33(15-61)82-55)85-52-43(73)37(67)29(64)19-77-52)49(42(72)34(16-62)83-56)87-57-51(88-54-45(75)39(69)31(66)21-79-54)48(41(71)35(17-63)84-57)86-53-44(74)38(68)30(65)20-78-53/h22-57,61-76H,5-21H2,1-4H3/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,48+,49+,50-,51-,52+,53+,54+,55-,56-,57+,58+,59+,60-/m1/s1 |
| InChIKey | MIYCAVVSGLNDKM-OIGLODTGSA-N |
| Mol Weight | 1299.4 g/mol |
| Molecular Formula | C60H98O30 |
| Exact Mass | 1298.614292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1evy68SyaUL |
|---|---|
| Name | AGAVESIDE-A;3-BETA-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GALA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H98O30 |
| InChI | InChI=1S/C60H98O30/c1-22-7-12-60(80-18-22)23(2)36-32(90-60)14-28-26-6-5-24-13-25(8-10-58(24,3)27(26)9-11-59(28,36)4)81-56-50(89-55-46(76)47(40(70)33(15-61)82-55)85-52-43(73)37(67)29(64)19-77-52)49(42(72)34(16-62)83-56)87-57-51(88-54-45(75)39(69)31(66)21-79-54)48(41(71)35(17-63)84-57)86-53-44(74)38(68)30(65)20-78-53/h22-57,61-76H,5-21H2,1-4H3/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,48+,49+,50-,51-,52+,53+,54+,55-,56-,57+,58+,59+,60-/m1/s1 |
| InChIKey | MIYCAVVSGLNDKM-OIGLODTGSA-N |
| Literature Reference Author | G.C.UNIYAL,P.K.AGRAWAL,R.S.THAKUR,O.P.SATI |
| Literature Reference Citation | PHYTOCHEM.,29,937(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80050-Q |
| Molecular Weight | 1299.420 g/mol |
| Solvent | C5D5N_OR_CDCl3 |
| Source File Reference | UWVN29480 |