| SpectraBase Compound ID | LEccrhG7VE3 |
|---|---|
| InChI | InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-3-6-18(36)20(38)11-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-4-7-19(37)22(12-16)47-2/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23-,25-,26+,27+,28-,29+,30-,31-,32-,33?,34-,35-/m0/s1 |
| InChIKey | RNIOTCRMLGGHMI-PHUPJTDTSA-N |
| Mol Weight | 770.7 g/mol |
| Molecular Formula | C35H46O19 |
| Exact Mass | 770.263329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5K30CCqocrs |
|---|---|
| Name | SCROPHULOSIDE-B2 |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O19 |
| InChI | InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-3-6-18(36)20(38)11-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-4-7-19(37)22(12-16)47-2/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23-,25-,26+,27+,28-,29+,30-,31-,32-,33?,34-,35-/m0/s1 |
| InChIKey | RNIOTCRMLGGHMI-PHUPJTDTSA-N |
| Literature Reference Author | T.MIYASE,A.MIMATSU |
| Literature Reference Citation | J.NAT.PROD.,62,1079(1999) |
| Literature Reference DOI | 10.1021/np9805746 |
| Molecular Weight | 770.739 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8761 |