| SpectraBase Compound ID | 9NpMtY8aA7Y |
|---|---|
| InChI | InChI=1S/C33H40O21/c34-6-16-21(39)26(44)29(47)32(53-16)49-8-18-23(41)25(43)28(46)31(51-18)20-12(38)5-15-19(24(20)42)11(37)4-13(50-15)9-1-2-10(36)14(3-9)52-33-30(48)27(45)22(40)17(7-35)54-33/h1-5,16-18,21-23,25-36,38-48H,6-8H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30-,31?,32-,33-/m1/s1 |
| InChIKey | VHGKNSZMVHWQIV-FMGNPJSVSA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C33H40O21 |
| Exact Mass | 772.206208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmZjUmj2kdk |
|---|---|
| Name | DI-O-BETA-D-GLUCOPYRANOSYL-3',6''-ISOORIENTINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O21 |
| InChI | InChI=1S/C33H40O21/c34-6-16-21(39)26(44)29(47)32(53-16)49-8-18-23(41)25(43)28(46)31(51-18)20-12(38)5-15-19(24(20)42)11(37)4-13(50-15)9-1-2-10(36)14(3-9)52-33-30(48)27(45)22(40)17(7-35)54-33/h1-5,16-18,21-23,25-36,38-48H,6-8H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30-,31?,32-,33-/m1/s1 |
| InChIKey | VHGKNSZMVHWQIV-FMGNPJSVSA-N |
| Literature Reference Author | A.J.CHULIA,A.M.MARIOTTE |
| Literature Reference Citation | J.NAT.PROD.,48,480(1985) |
| Literature Reference DOI | 10.1021/np50039a023 |
| Molecular Weight | 772.668 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS3533 |