| SpectraBase Compound ID | 31PhCyXQ19D |
|---|---|
| InChI | InChI=1S/C45H68O18/c1-19-24(11-12-55-19)25-9-10-27-26(37(25)50)8-7-23-13-31(30(49)17-45(23,27)5)59-34-14-28(47)41(20(2)56-34)61-35-15-29(48)42(21(3)57-35)62-36-16-32(54-6)43(22(4)58-36)63-44-40(53)39(52)38(51)33(18-46)60-44/h7,11-12,20-22,25-36,38-44,46-49,51-53H,8-10,13-18H2,1-6H3/t20-,21-,22+,25+,26+,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | GMSPDUQETVRLLW-ZGDDBQCXSA-N |
| Mol Weight | 897.0 g/mol |
| Molecular Formula | C45H68O18 |
| Exact Mass | 896.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRxudXqQF8H |
|---|---|
| Name | #7;SUBLANCEOSIDE-D1;CYNAJAPOGENIN-A-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H68O18 |
| InChI | InChI=1S/C45H68O18/c1-19-24(11-12-55-19)25-9-10-27-26(37(25)50)8-7-23-13-31(30(49)17-45(23,27)5)59-34-14-28(47)41(20(2)56-34)61-35-15-29(48)42(21(3)57-35)62-36-16-32(54-6)43(22(4)58-36)63-44-40(53)39(52)38(51)33(18-46)60-44/h7,11-12,20-22,25-36,38-44,46-49,51-53H,8-10,13-18H2,1-6H3/t20-,21-,22+,25+,26+,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | GMSPDUQETVRLLW-ZGDDBQCXSA-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 | 897.024 g/mol |
| Sample ID | 55372 |
| Solvent | C5D5N |