![SCABEROSIDE-A1;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[APIOFURANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTE](/api/spectrum/8ihf6zd0r1s/structure.png?h=300&w=458 "SCABEROSIDE-A1;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[APIOFURANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTE")
| SpectraBase Compound ID | EMjnL6A5aFf |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-23-31(57)37(72-45-40(63)52(66,21-54)22-69-45)36(62)43(70-23)74-39-32(58)26(55)20-68-44(39)75-46(65)53-17-16-47(2,3)18-25(53)24-10-11-28-49(6)14-13-30(71-42-35(61)33(59)34(60)38(73-42)41(64)67-9)48(4,5)27(49)12-15-50(28,7)51(24,8)19-29(53)56/h10,23,25-40,42-45,54-63,66H,11-22H2,1-9H3/t23-,25?,26-,27?,28?,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,42+,43-,44-,45-,49-,50+,51+,52+,53+/m0/s1 |
| InChIKey | JPCNDCXVTBISSN-ODOOYICUSA-N |
| Mol Weight | 1073.2 g/mol |
| Molecular Formula | C53H84O22 |
| Exact Mass | 1072.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ihf6zd0r1s |
|---|---|
| Name | SCABEROSIDE-A1;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[APIOFURANOSYL-(1->3)-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTE |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22 |
| InChI | InChI=1S/C53H84O22/c1-23-31(57)37(72-45-40(63)52(66,21-54)22-69-45)36(62)43(70-23)74-39-32(58)26(55)20-68-44(39)75-46(65)53-17-16-47(2,3)18-25(53)24-10-11-28-49(6)14-13-30(71-42-35(61)33(59)34(60)38(73-42)41(64)67-9)48(4,5)27(49)12-15-50(28,7)51(24,8)19-29(53)56/h10,23,25-40,42-45,54-63,66H,11-22H2,1-9H3/t23-,25?,26-,27?,28?,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,42+,43-,44-,45-,49-,50+,51+,52+,53+/m0/s1 |
| InChIKey | JPCNDCXVTBISSN-ODOOYICUSA-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 | 1073.237 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1050 |