![SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER](/api/spectrum/HWHPFGbYIxx/structure.png?h=300&w=458 "SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 85cb3x5d5EY |
|---|---|
| InChI | InChI=1S/C54H86O22/c1-23-31(56)34(59)39(64)45(71-23)75-42-36(61)33(58)27(22-70-44-38(63)32(57)26(55)21-69-44)72-47(42)76-48(67)54-18-16-49(2,3)20-25(54)24-10-11-29-51(6)14-13-30(73-46-40(65)35(60)37(62)41(74-46)43(66)68-9)50(4,5)28(51)12-15-53(29,8)52(24,7)17-19-54/h10,23,25-42,44-47,55-65H,11-22H2,1-9H3/t23-,25?,26+,27+,28?,29?,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,44-,45-,46+,47-,51-,52+,53+,54-/m0/s1 |
| InChIKey | OTQJYUMTKDYFDV-MUPKUUMKSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C54H86O22 |
| Exact Mass | 1086.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWHPFGbYIxx |
|---|---|
| Name | SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O22 |
| InChI | InChI=1S/C54H86O22/c1-23-31(56)34(59)39(64)45(71-23)75-42-36(61)33(58)27(22-70-44-38(63)32(57)26(55)21-69-44)72-47(42)76-48(67)54-18-16-49(2,3)20-25(54)24-10-11-29-51(6)14-13-30(73-46-40(65)35(60)37(62)41(74-46)43(66)68-9)50(4,5)28(51)12-15-53(29,8)52(24,7)17-19-54/h10,23,25-42,44-47,55-65H,11-22H2,1-9H3/t23-,25?,26+,27+,28?,29?,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,44-,45-,46+,47-,51-,52+,53+,54-/m0/s1 |
| InChIKey | OTQJYUMTKDYFDV-MUPKUUMKSA-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 | 1087.264 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1237 |