![SCABEROSIDE-B7;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-](/api/spectrum/4N5DRokzFUw/structure.png?h=300&w=458 "SCABEROSIDE-B7;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-")
| SpectraBase Compound ID | 1mXuv3k6LCS |
|---|---|
| InChI | InChI=1S/C58H92O25/c1-25-40(79-46-37(66)33(62)28(60)21-74-46)41(80-50-44(69)58(72,23-59)24-76-50)39(68)48(77-25)82-43-34(63)29(61)22-75-49(43)83-51(71)57-18-16-52(2,3)20-27(57)26-10-11-31-54(6)14-13-32(78-47-38(67)35(64)36(65)42(81-47)45(70)73-9)53(4,5)30(54)12-15-56(31,8)55(26,7)17-19-57/h10,25,27-44,46-50,59-69,72H,11-24H2,1-9H3/t25-,27?,28+,29-,30?,31?,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,46-,47+,48-,49-,50-,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | NSXUKCSWMZTRNS-UDUIMCLASA-N |
| Mol Weight | 1189.3 g/mol |
| Molecular Formula | C58H92O25 |
| Exact Mass | 1188.592768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4N5DRokzFUw |
|---|---|
| Name | SCABEROSIDE-B7;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)- |
| Compound Number | 46 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O25 |
| InChI | InChI=1S/C58H92O25/c1-25-40(79-46-37(66)33(62)28(60)21-74-46)41(80-50-44(69)58(72,23-59)24-76-50)39(68)48(77-25)82-43-34(63)29(61)22-75-49(43)83-51(71)57-18-16-52(2,3)20-27(57)26-10-11-31-54(6)14-13-32(78-47-38(67)35(64)36(65)42(81-47)45(70)73-9)53(4,5)30(54)12-15-56(31,8)55(26,7)17-19-57/h10,25,27-44,46-50,59-69,72H,11-24H2,1-9H3/t25-,27?,28+,29-,30?,31?,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,46-,47+,48-,49-,50-,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | NSXUKCSWMZTRNS-UDUIMCLASA-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 | 1189.353 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1236 |