![ELATOSIDE_A;OLEANOLIC_ACID_3-O-{[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]}-BETA-D-GLUCOPYRANOSIDURONIC_ACID](/api/spectrum/6bpebdEqjES/structure.png?h=300&w=458 "ELATOSIDE_A;OLEANOLIC_ACID_3-O-{[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]}-BETA-D-GLUCOPYRANOSIDURONIC_ACID")
| SpectraBase Compound ID | 99bu5XJ58qH |
|---|---|
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24+,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,44-,45+,46+,47-/m0/s1 |
| InChIKey | DPXMETKXNWBGRI-JXPYUNSZSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C47H74O18 |
| Exact Mass | 926.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bpebdEqjES |
|---|---|
| Name | ELATOSIDE_A;OLEANOLIC_ACID_3-O-{[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-GALACTOPYRANOSYL-(1->3)]}-BETA-D-GLUCOPYRANOSIDURONIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O18 |
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24+,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,44-,45+,46+,47-/m0/s1 |
| InChIKey | DPXMETKXNWBGRI-JXPYUNSZSA-N |
| Literature Reference Author | M.YOSHIKAWA,T.MURAKAMI,E.HARADA,N.MURAKAMI,J.YAMAHARA,H.MATS UDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1915(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1915 |
| Molecular Weight | 927.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17469 |