![#7A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACE](/api/spectrum/LNJelbCjqrD/structure.png?h=300&w=458 "#7A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACE")
| SpectraBase Compound ID | BFHSXVhKt7U |
|---|---|
| InChI | InChI=1S/C78H110O35/c1-35(79)94-32-50-55(98-38(4)82)58(100-40(6)84)65(106-46(12)90)70(108-50)113-72(92)78-29-27-73(13,14)31-48(78)47-21-22-53-75(17)25-24-54(74(15,16)52(75)23-26-77(53,19)76(47,18)28-30-78)109-71-66(61(103-43(9)87)60(102-42(8)86)62(111-71)67(91)93-20)112-69-64(105-45(11)89)59(101-41(7)85)56(51(107-69)33-95-36(2)80)110-68-63(104-44(10)88)57(99-39(5)83)49(34-96-68)97-37(3)81/h21,48-66,68-71H,22-34H2,1-20H3/t48-,49-,50+,51+,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64+,65+,66+,68+,69-,70-,71+,75-,76+,77+,78-/m0/s1 |
| InChIKey | CWXXRAFNQGEBEK-ORSJFKNTSA-N |
| Mol Weight | 1607.7 g/mol |
| Molecular Formula | C78H110O35 |
| Exact Mass | 1606.682765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNJelbCjqrD |
|---|---|
| Name | #7A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H110O35 |
| InChI | InChI=1S/C78H110O35/c1-35(79)94-32-50-55(98-38(4)82)58(100-40(6)84)65(106-46(12)90)70(108-50)113-72(92)78-29-27-73(13,14)31-48(78)47-21-22-53-75(17)25-24-54(74(15,16)52(75)23-26-77(53,19)76(47,18)28-30-78)109-71-66(61(103-43(9)87)60(102-42(8)86)62(111-71)67(91)93-20)112-69-64(105-45(11)89)59(101-41(7)85)56(51(107-69)33-95-36(2)80)110-68-63(104-44(10)88)57(99-39(5)83)49(34-96-68)97-37(3)81/h21,48-66,68-71H,22-34H2,1-20H3/t48-,49-,50+,51+,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64+,65+,66+,68+,69-,70-,71+,75-,76+,77+,78-/m0/s1 |
| InChIKey | CWXXRAFNQGEBEK-ORSJFKNTSA-N |
| Literature Reference Author | A.PENDERS,C.DELAUDE |
| Literature Reference Citation | PHYTOCHEM.,37,821(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90364-9 |
| Molecular Weight | 1607.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23504 |