| SpectraBase Compound ID | CFHNWQ01b50 |
|---|---|
| InChI | InChI=1S/C48H76O17/c1-22-29(50)31(52)34(55)39(61-22)64-37-30(51)25(49)21-60-41(37)65-42(58)48-18-16-43(2,3)20-24(48)23-10-11-27-45(6)14-13-28(62-40-35(56)32(53)33(54)36(63-40)38(57)59-9)44(4,5)26(45)12-15-47(27,8)46(23,7)17-19-48/h10,22,24-37,39-41,49-56H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | TTZFCIQUMHEIMS-UYNNUQLDSA-N |
| Mol Weight | 925.1 g/mol |
| Molecular Formula | C48H76O17 |
| Exact Mass | 924.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4t1GKmHFRJK |
|---|---|
| Name | SCABEROSIDE-B4;3-O-BETA-GLUCURONOPYRANOSYL,28-O-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL-OLEANOLIC-ACID-METHYLESTER |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O17 |
| InChI | InChI=1S/C48H76O17/c1-22-29(50)31(52)34(55)39(61-22)64-37-30(51)25(49)21-60-41(37)65-42(58)48-18-16-43(2,3)20-24(48)23-10-11-27-45(6)14-13-28(62-40-35(56)32(53)33(54)36(63-40)38(57)59-9)44(4,5)26(45)12-15-47(27,8)46(23,7)17-19-48/h10,22,24-37,39-41,49-56H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48-/m0/s1 |
| InChIKey | TTZFCIQUMHEIMS-UYNNUQLDSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 925.121 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1233 |