| SpectraBase Compound ID | J29uFb0doa2 |
|---|---|
| InChI | InChI=1S/C46H72O15/c1-23-32(51)36(61-39-35(54)37(58-25(3)49)33(52)26(59-39)20-55-24(2)48)34(53)38(57-23)60-31-12-13-41(6)27(42(31,7)21-47)10-14-43(8)28(41)11-15-46-29-18-40(4,5)16-17-45(29,22-56-46)30(50)19-44(43,46)9/h11,15,23,26-39,47,50-54H,10,12-14,16-22H2,1-9H3/t23-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,41+,42+,43-,44+,45-,46+/m1/s1 |
| InChIKey | FYOQOFRFDKZNIZ-BDMIOGLHSA-N |
| Mol Weight | 865.1 g/mol |
| Molecular Formula | C46H72O15 |
| Exact Mass | 864.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14R2MXU4PNt |
|---|---|
| Name | 3'',6''-DI-O-ACETYL-SAIKOSAPONIN-A |
| Compound Number | S31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O15 |
| InChI | InChI=1S/C46H72O15/c1-23-32(51)36(61-39-35(54)37(58-25(3)49)33(52)26(59-39)20-55-24(2)48)34(53)38(57-23)60-31-12-13-41(6)27(42(31,7)21-47)10-14-43(8)28(41)11-15-46-29-18-40(4,5)16-17-45(29,22-56-46)30(50)19-44(43,46)9/h11,15,23,26-39,47,50-54H,10,12-14,16-22H2,1-9H3/t23-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,41+,42+,43-,44+,45-,46+/m1/s1 |
| InChIKey | FYOQOFRFDKZNIZ-BDMIOGLHSA-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 | 865.069 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR8189 |