![AGERATOSIDE-B2;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-MEDICAGENIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSY](/api/spectrum/KG2ur7td0Ad/structure.png?h=300&w=458 "AGERATOSIDE-B2;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-MEDICAGENIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSY")
| SpectraBase Compound ID | 7jNDLdGAdZu |
|---|---|
| InChI | InChI=1S/C57H90O27/c1-22-32(63)42(81-46-38(69)34(65)27(61)20-76-46)40(71)48(78-22)82-43-35(66)28(62)21-77-49(43)84-51(74)57-14-12-52(2,3)16-24(57)23-8-9-30-53(4)17-25(59)44(56(7,50(72)73)31(53)10-11-55(30,6)54(23,5)13-15-57)83-47-39(70)36(67)41(29(18-58)79-47)80-45-37(68)33(64)26(60)19-75-45/h8,22,24-49,58-71H,9-21H2,1-7H3,(H,72,73)/t22-,24?,25-,26-,27-,28-,29+,30?,31?,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,53+,54+,55+,56-,57-/m0/s1 |
| InChIKey | FZFBCXQSHWNDIC-VVQICWPKSA-N |
| Mol Weight | 1207.3 g/mol |
| Molecular Formula | C57H90O27 |
| Exact Mass | 1206.566948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KG2ur7td0Ad |
|---|---|
| Name | AGERATOSIDE-B2;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-MEDICAGENIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSY |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90O27 |
| InChI | InChI=1S/C57H90O27/c1-22-32(63)42(81-46-38(69)34(65)27(61)20-76-46)40(71)48(78-22)82-43-35(66)28(62)21-77-49(43)84-51(74)57-14-12-52(2,3)16-24(57)23-8-9-30-53(4)17-25(59)44(56(7,50(72)73)31(53)10-11-55(30,6)54(23,5)13-15-57)83-47-39(70)36(67)41(29(18-58)79-47)80-45-37(68)33(64)26(60)19-75-45/h8,22,24-49,58-71H,9-21H2,1-7H3,(H,72,73)/t22-,24?,25-,26-,27-,28-,29+,30?,31?,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,53+,54+,55+,56-,57-/m0/s1 |
| InChIKey | FZFBCXQSHWNDIC-VVQICWPKSA-N |
| Literature Reference Author | K.SAKAI,T.NAGAO,H.OKABE |
| Literature Reference Citation | PHYTOCHEM.,51,309(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00766-3 |
| Molecular Weight | 1207.325 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC284 |