| SpectraBase Compound ID | 2L7XSrKRgfM |
|---|---|
| InChI | InChI=1S/C48H80O18/c1-21-30(53)32(55)36(59)41(62-21)66-38-26(19-61-40-35(58)33(56)31(54)25(18-49)63-40)64-42(37(60)34(38)57)65-29-10-11-45(6)27(44(29,4)5)9-12-46(7)39(45)24(51)15-22-23-16-43(2,3)13-14-48(23,20-50)28(52)17-47(22,46)8/h15,21,23-42,49-60H,9-14,16-20H2,1-8H3/t21-,23?,24-,25-,26-,27?,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39?,40-,41-,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | SDXXOZBRDPPCPQ-TXPZRRANSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C48H80O18 |
| Exact Mass | 944.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ian5QD5aZXH |
|---|---|
| Name | HYDROXYSAIKOSAPONIN-C;11-O-HYDROXYSAIKOSAPONIN-F |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O18 |
| InChI | InChI=1S/C48H80O18/c1-21-30(53)32(55)36(59)41(62-21)66-38-26(19-61-40-35(58)33(56)31(54)25(18-49)63-40)64-42(37(60)34(38)57)65-29-10-11-45(6)27(44(29,4)5)9-12-46(7)39(45)24(51)15-22-23-16-43(2,3)13-14-48(23,20-50)28(52)17-47(22,46)8/h15,21,23-42,49-60H,9-14,16-20H2,1-8H3/t21-,23?,24-,25-,26-,27?,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39?,40-,41-,42+,45+,46-,47-,48-/m1/s1 |
| InChIKey | SDXXOZBRDPPCPQ-TXPZRRANSA-N |
| Literature Reference Author | N.EBATA,K.NAKAJIMA,K.HAYASHI,M.OKADA,M.MARUNO |
| Literature Reference Citation | PHYTOCHEM.,41,895(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00720-2 |
| Molecular Weight | 945.152 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4128 |