![CODONOSIDE-B;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->2)-ARABINOPYRANO](/api/spectrum/BCsfKyuo087/structure.png?h=300&w=458 "CODONOSIDE-B;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->2)-ARABINOPYRANO")
| SpectraBase Compound ID | 3DQkXxhYpg0 |
|---|---|
| InChI | InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)36(67)40(71)48(78-22)82-43-27(19-59)79-49(41(72)37(43)68)84-45-33(64)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-39(70)34(65)35(66)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24?,25-,26+,27-,28?,29?,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42-,43-,44+,45-,47+,48-,49+,50-,51+,55+,56-,57-,58-/m1/s1 |
| InChIKey | HKUOEIVTZCLWHU-XTQUKYNUSA-N |
| Mol Weight | 1221.3 g/mol |
| Molecular Formula | C58H92O27 |
| Exact Mass | 1220.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCsfKyuo087 |
|---|---|
| Name | CODONOSIDE-B;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->2)-ARABINOPYRANO |
| Compound Number | 61 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O27 |
| InChI | InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)36(67)40(71)48(78-22)82-43-27(19-59)79-49(41(72)37(43)68)84-45-33(64)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-39(70)34(65)35(66)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24?,25-,26+,27-,28?,29?,30-,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42-,43-,44+,45-,47+,48-,49+,50-,51+,55+,56-,57-,58-/m1/s1 |
| InChIKey | HKUOEIVTZCLWHU-XTQUKYNUSA-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 | 1221.352 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1058 |