![ACODONTASTEROSIDE-A;(22-E,24-R)-28-O-[METHYL-BETA-XYLOPYRANOSYL-(1->2)-BETA-GALACTOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPH](/api/spectrum/EIOZRBjUUDW/structure.png?h=300&w=458 "ACODONTASTEROSIDE-A;(22-E,24-R)-28-O-[METHYL-BETA-XYLOPYRANOSYL-(1->2)-BETA-GALACTOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPH")
| SpectraBase Compound ID | 6AS5qSSYu3u |
|---|---|
| InChI | InChI=1S/C40H68O18S/c1-18(2)20(16-54-37-34(31(48)32(56-37)24(44)15-41)57-36-33(53-6)30(47)25(45)17-55-36)8-7-19(3)21-13-23(43)35-38(21,4)12-10-27-39(5)11-9-22(42)29(46)28(39)26(14-40(27,35)49)58-59(50,51)52/h7-8,18-37,41-49H,9-17H2,1-6H3,(H,50,51,52)/b8-7+/t19-,20-,21-,22+,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33+,34+,35?,36-,37+,38-,39-,40+/m1/s1 |
| InChIKey | SPPURJGRKYBQMK-MGRNPPKJSA-N |
| Mol Weight | 869.0 g/mol |
| Molecular Formula | C40H68O18S |
| Exact Mass | 868.412637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIOZRBjUUDW |
|---|---|
| Name | ACODONTASTEROSIDE-A;(22-E,24-R)-28-O-[METHYL-BETA-XYLOPYRANOSYL-(1->2)-BETA-GALACTOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPH |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O18S |
| InChI | InChI=1S/C40H68O18S/c1-18(2)20(16-54-37-34(31(48)32(56-37)24(44)15-41)57-36-33(53-6)30(47)25(45)17-55-36)8-7-19(3)21-13-23(43)35-38(21,4)12-10-27-39(5)11-9-22(42)29(46)28(39)26(14-40(27,35)49)58-59(50,51)52/h7-8,18-37,41-49H,9-17H2,1-6H3,(H,50,51,52)/b8-7+/t19-,20-,21-,22+,23-,24-,25+,26+,27?,28?,29+,30-,31-,32-,33+,34+,35?,36-,37+,38-,39-,40+/m1/s1 |
| InChIKey | SPPURJGRKYBQMK-MGRNPPKJSA-N |
| Literature Reference Author | S.DEMARINO,M.IORIZZI,F.ZOLLO,L.MINALE,C.D.AMSLER,B.J.BAKER,J .B.MCCLINTOCK |
| Literature Reference Citation | J.NAT.PROD.,60,959(1997) |
| Literature Reference DOI | 10.1021/np9700578 |
| Molecular Weight | 869.029 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU378 |