| SpectraBase Compound ID | 3kvNKh8vNvq |
|---|---|
| InChI | InChI=1S/C46H70O20/c1-19-40(64-34-13-27(49)41(20(2)59-34)65-35-14-30(55-6)42(21(3)60-35)66-44-39(53)38(52)37(51)31(16-47)63-44)26(48)12-33(58-19)61-29-11-23-8-9-24-25(45(23,4)15-28(29)50)10-7-22-17-56-46(5)36(22)32(18-57-46)62-43(24)54/h8,17,19-21,24-42,44,47-53H,7,9-16,18H2,1-6H3/t19-,20+,21+,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,44-,45-,46-/m0/s1 |
| InChIKey | QWYNWYFFARMRAP-JWUXGEPCSA-N |
| Mol Weight | 943.0 g/mol |
| Molecular Formula | C46H70O20 |
| Exact Mass | 942.446045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJyWlFV3SCz |
|---|---|
| Name | #8;SUBLANCEOSIDE-D2;GLAUCOGENIN-A-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H70O20 |
| InChI | InChI=1S/C46H70O20/c1-19-40(64-34-13-27(49)41(20(2)59-34)65-35-14-30(55-6)42(21(3)60-35)66-44-39(53)38(52)37(51)31(16-47)63-44)26(48)12-33(58-19)61-29-11-23-8-9-24-25(45(23,4)15-28(29)50)10-7-22-17-56-46(5)36(22)32(18-57-46)62-43(24)54/h8,17,19-21,24-42,44,47-53H,7,9-16,18H2,1-6H3/t19-,20+,21+,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,44-,45-,46-/m0/s1 |
| InChIKey | QWYNWYFFARMRAP-JWUXGEPCSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1551(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1551 |
| Molecular Weight | 943.050 g/mol |
| Sample ID | 55373 |
| Solvent | C5D5N |