![SCABEROSIDE-B5;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER](/api/spectrum/HouWl02Fckf/structure.png?h=300&w=458 "SCABEROSIDE-B5;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 92uMZc42Ojf |
|---|---|
| InChI | InChI=1S/C53H84O21/c1-23-39(71-43-36(61)31(56)26(54)21-67-43)35(60)38(63)44(69-23)73-41-32(57)27(55)22-68-46(41)74-47(65)53-18-16-48(2,3)20-25(53)24-10-11-29-50(6)14-13-30(70-45-37(62)33(58)34(59)40(72-45)42(64)66-9)49(4,5)28(50)12-15-52(29,8)51(24,7)17-19-53/h10,23,25-41,43-46,54-63H,11-22H2,1-9H3/t23-,25?,26-,27-,28?,29?,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | WZKGWHSNAKTEGP-WDOVEPBLSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C53H84O21 |
| Exact Mass | 1056.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HouWl02Fckf |
|---|---|
| Name | SCABEROSIDE-B5;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER |
| Compound Number | 40 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O21 |
| InChI | InChI=1S/C53H84O21/c1-23-39(71-43-36(61)31(56)26(54)21-67-43)35(60)38(63)44(69-23)73-41-32(57)27(55)22-68-46(41)74-47(65)53-18-16-48(2,3)20-25(53)24-10-11-29-50(6)14-13-30(70-45-37(62)33(58)34(59)40(72-45)42(64)66-9)49(4,5)28(50)12-15-52(29,8)51(24,7)17-19-53/h10,23,25-41,43-46,54-63H,11-22H2,1-9H3/t23-,25?,26-,27-,28?,29?,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40-,41+,43+,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | WZKGWHSNAKTEGP-WDOVEPBLSA-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 | 1057.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1234 |