| SpectraBase Compound ID | ITYwtFTbgn2 |
|---|---|
| InChI | InChI=1S/C46H72O15/c1-23-32(52)36(61-39-34(54)37(58-25(3)50)35(57-24(2)49)26(20-47)59-39)33(53)38(56-23)60-31-12-13-41(6)27(42(31,7)21-48)10-14-43(8)28(41)11-15-46-29-18-40(4,5)16-17-45(29,22-55-46)30(51)19-44(43,46)9/h11,15,23,26-39,47-48,51-54H,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 | GVMGRJDNWJCZOY-OKPMSYHESA-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 | GaThDyCnwPJ |
|---|---|
| Name | 3'',4''-DI-O-ACETYL-SAIKOSAPONIN-A |
| Compound Number | S29 |
| 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(52)36(61-39-34(54)37(58-25(3)50)35(57-24(2)49)26(20-47)59-39)33(53)38(56-23)60-31-12-13-41(6)27(42(31,7)21-48)10-14-43(8)28(41)11-15-46-29-18-40(4,5)16-17-45(29,22-55-46)30(51)19-44(43,46)9/h11,15,23,26-39,47-48,51-54H,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 | GVMGRJDNWJCZOY-OKPMSYHESA-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 | UWIR8188 |