| SpectraBase Compound ID | 6uab8QcBgKf |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-22-31(50)35(58-38-36(55-23(2)48)33(52)32(51)26(19-45)56-38)34(53)37(54-22)57-30-12-13-40(5)27(41(30,6)20-46)11-14-42(7)28(40)10-9-24-25-17-39(3,4)15-16-44(25,21-47)29(49)18-43(24,42)8/h9-10,22,26-38,45-47,49-53H,11-21H2,1-8H3/t22-,26-,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37+,38+,40+,41+,42-,43-,44-/m1/s1 |
| InChIKey | ZXLWLIAWAGCZHA-MHQDOTDTSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C44H70O14 |
| Exact Mass | 822.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 56ZNPKK9pZ0 |
|---|---|
| Name | 2''-O-ACETYL-SAIKOSAPONIN-B2 |
| Compound Number | S37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O14 |
| InChI | InChI=1S/C44H70O14/c1-22-31(50)35(58-38-36(55-23(2)48)33(52)32(51)26(19-45)56-38)34(53)37(54-22)57-30-12-13-40(5)27(41(30,6)20-46)11-14-42(7)28(40)10-9-24-25-17-39(3,4)15-16-44(25,21-47)29(49)18-43(24,42)8/h9-10,22,26-38,45-47,49-53H,11-21H2,1-8H3/t22-,26-,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37+,38+,40+,41+,42-,43-,44-/m1/s1 |
| InChIKey | ZXLWLIAWAGCZHA-MHQDOTDTSA-N |
| Literature Reference Author | H.SETO,N.OTAKE,H.KAWAI,S.Q.LUO,F.G.QIAN,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,1607(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.1607 |
| Molecular Weight | 823.031 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8183 |