![SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER](/api/spectrum/4imuqmci6HN/structure.png?h=300&w=458 "SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 7uQUTLLBc0G |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22-,24?,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 | CQOWKXHYGFCJHS-WFJJVFDFSA-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 | 4imuqmci6HN |
|---|---|
| Name | SCABEROSIDE-A2;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ESTER |
| Compound Number | 43 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22 |
| InChI | InChI=1S/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22-,24?,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 | CQOWKXHYGFCJHS-WFJJVFDFSA-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 | UWVN1051 |