![AGERATOSIDE-A2;3-O-[0-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-ZANHIC-ACID-28-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL)-ALPHA-L-RHAMN](/api/spectrum/JBmAyrZqW2i/structure.png?h=300&w=458 "AGERATOSIDE-A2;3-O-[0-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-ZANHIC-ACID-28-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL)-ALPHA-L-RHAMN")
| SpectraBase Compound ID | BmMq6GNid77 |
|---|---|
| InChI | InChI=1S/C60H94O30/c1-23-41(83-24(2)64)43(87-51-45(75)59(79,21-63)22-81-51)40(74)49(82-23)88-44-34(68)28(66)20-80-50(44)90-53(78)60-14-13-54(3,4)15-26(60)25-9-10-31-55(5)16-27(65)46(58(8,52(76)77)32(55)11-12-56(31,6)57(25,7)17-33(60)67)89-48-39(73)37(71)42(30(19-62)85-48)86-47-38(72)36(70)35(69)29(18-61)84-47/h9,23,26-51,61-63,65-75,79H,10-22H2,1-8H3,(H,76,77)/t23-,26?,27-,28-,29-,30+,31?,32?,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,43-,44+,45-,46-,47+,48-,49-,50-,51-,55+,56+,57+,58-,59+,60+/m0/s1 |
| InChIKey | SNLRXOXNOOMLEI-ZEHGZNBKSA-N |
| Mol Weight | 1295.4 g/mol |
| Molecular Formula | C60H94O30 |
| Exact Mass | 1294.582992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBmAyrZqW2i |
|---|---|
| Name | AGERATOSIDE-A2;3-O-[0-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-ZANHIC-ACID-28-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL)-ALPHA-L-RHAMN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H94O30 |
| InChI | InChI=1S/C60H94O30/c1-23-41(83-24(2)64)43(87-51-45(75)59(79,21-63)22-81-51)40(74)49(82-23)88-44-34(68)28(66)20-80-50(44)90-53(78)60-14-13-54(3,4)15-26(60)25-9-10-31-55(5)16-27(65)46(58(8,52(76)77)32(55)11-12-56(31,6)57(25,7)17-33(60)67)89-48-39(73)37(71)42(30(19-62)85-48)86-47-38(72)36(70)35(69)29(18-61)84-47/h9,23,26-51,61-63,65-75,79H,10-22H2,1-8H3,(H,76,77)/t23-,26?,27-,28-,29-,30+,31?,32?,33+,34-,35-,36+,37+,38-,39+,40+,41-,42+,43-,44+,45-,46-,47+,48-,49-,50-,51-,55+,56+,57+,58-,59+,60+/m0/s1 |
| InChIKey | SNLRXOXNOOMLEI-ZEHGZNBKSA-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 | 1295.388 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC279 |