![SCABEROSIDE-B6;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER](/api/spectrum/LmkBcZ5YJt0/structure.png?h=300&w=458 "SCABEROSIDE-B6;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | Ggbn5VwTP3Q |
|---|---|
| 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-DCUOYKPZSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C53H84O21 |
| Exact Mass | 1056.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LmkBcZ5YJt0 |
|---|---|
| Name | SCABEROSIDE-B6;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER |
| Compound Number | 41 |
| 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-DCUOYKPZSA-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 | UWVN1235 |