| SpectraBase Compound ID | 7CW3GtTxeeD |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-11-21(2)42(56)64-39-40-45(7)15-13-27(18-26(45)12-16-47(40)48(67-47)17-14-28(22(3)50)46(48,8)41(39)61-25(6)51)62-31-19-29(57-9)36(23(4)59-31)65-44-35(55)38(58-10)37(24(5)60-44)66-43-34(54)33(53)32(52)30(20-49)63-43/h21,23-24,26-41,43-44,49,52-55H,11-20H2,1-10H3/t21?,23-,24+,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41-,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | MLBXHLPLQLRNTN-UVPABMAASA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pBswQJFjmr |
|---|---|
| Name | MARDENOSIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-11-ALPHA-O-2-METHYLBUTYRYL-1 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-11-21(2)42(56)64-39-40-45(7)15-13-27(18-26(45)12-16-47(40)48(67-47)17-14-28(22(3)50)46(48,8)41(39)61-25(6)51)62-31-19-29(57-9)36(23(4)59-31)65-44-35(55)38(58-10)37(24(5)60-44)66-43-34(54)33(53)32(52)30(20-49)63-43/h21,23-24,26-41,43-44,49,52-55H,11-20H2,1-10H3/t21?,23-,24+,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40-,41-,43+,44-,45+,46+,47+,48-/m1/s1 |
| InChIKey | MLBXHLPLQLRNTN-UVPABMAASA-N |
| Literature Reference Author | J.DENG,Z.LIAO,D.CHEN |
| Literature Reference Citation | PHYTOCHEM.,66,1040(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.03.018 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI25519 |