| SpectraBase Compound ID | 6dT9HLmv2ZR |
|---|---|
| InChI | InChI=1S/C47H76O16/c1-23-33(54)37(63-41-35(56)38(60-25(3)52)36(59-24(2)51)29(20-48)61-41)34(55)40(58-23)62-32-12-13-43(6)30(44(32,7)21-49)11-14-45(8)39(43)28(57-10)17-26-27-18-42(4,5)15-16-47(27,22-50)31(53)19-46(26,45)9/h17,23,27-41,48-50,53-56H,11-16,18-22H2,1-10H3/t23-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | XIHFQNUKEBWHSJ-VAICNVNDSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C47H76O16 |
| Exact Mass | 896.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vDBg43IU2N |
|---|---|
| Name | 3'',4''-DI-O-ACETYL-SAIKOSAPONIN-B4 |
| Compound Number | S27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O16 |
| InChI | InChI=1S/C47H76O16/c1-23-33(54)37(63-41-35(56)38(60-25(3)52)36(59-24(2)51)29(20-48)61-41)34(55)40(58-23)62-32-12-13-43(6)30(44(32,7)21-49)11-14-45(8)39(43)28(57-10)17-26-27-18-42(4,5)15-16-47(27,22-50)31(53)19-46(26,45)9/h17,23,27-41,48-50,53-56H,11-16,18-22H2,1-10H3/t23-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | XIHFQNUKEBWHSJ-VAICNVNDSA-N |
| Literature Reference Author | H.SETO,H.KAWAI,N.OTAKE,S.Q.LUO,F.G.QIAN,S.L.PAN |
| Literature Reference Citation | AGR.BIOL.CHEM.,50,1613(1986) |
| Literature Reference DOI | 10.1271/bbb1961.50.1613 |
| Molecular Weight | 897.111 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8193 |