| SpectraBase Compound ID | 8ms6aRhkn9o |
|---|---|
| InChI | InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20?,21-,22-,23-,25-,26?,27?,28?,29?,30-,31+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-,46-,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | LVTJOONKWUXEFR-LDJOHPJCSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C51H84O22 |
| Exact Mass | 1048.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4SMbuFCg7k |
|---|---|
| Name | 3-BETA,22-ALPHA,26-TRIHYDROXYFUROST-5-ENE-3-O-BETA-CHACOTRIOSIDE-26-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O22 |
| InChI | InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20?,21-,22-,23-,25-,26?,27?,28?,29?,30-,31+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-,46-,47-,48+,49-,50-,51+/m0/s1 |
| InChIKey | LVTJOONKWUXEFR-LDJOHPJCSA-N |
| Literature Reference Author | V.U.AHMAD,S.M.KHALIQ-UZ-ZAMAN,S.SHAMEEL,S.PERVEEN,Z.ALI |
| Literature Reference Citation | PHYTOCHEM.,50,481(1999) |
| Literature Reference DOI | 10.1016/s0031-9422(98)00566-4 |
| Molecular Weight | 1049.215 g/mol |
| Solvent | CD3OD |