![3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACETYLATED](/api/spectrum/LqG92hpkUkl/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACETYLATED")
| SpectraBase Compound ID | C2UAvr0aDrl |
|---|---|
| InChI | InChI=1S/C66H94O27/c1-31(67)79-29-43-47(82-33(3)69)49(84-35(5)71)54(87-38(8)74)58(89-43)93-60(77)66-26-24-61(10,11)28-41(66)40-18-19-45-63(14)22-21-46(62(12,13)44(63)20-23-65(45,16)64(40,15)25-27-66)90-59-55(88-39(9)75)51(85-36(6)72)50(52(92-59)56(76)78-17)91-57-53(86-37(7)73)48(83-34(4)70)42(30-80-57)81-32(2)68/h18,41-55,57-59H,19-30H2,1-17H3/t41-,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,54+,55+,57+,58-,59+,63-,64+,65+,66-/m0/s1 |
| InChIKey | MTSRFKLSAMFQSB-HHWNSDTPSA-N |
| Mol Weight | 1319.5 g/mol |
| Molecular Formula | C66H94O27 |
| Exact Mass | 1318.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqG92hpkUkl |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-METHYLESTER-PERACETYLATED |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H94O27 |
| InChI | InChI=1S/C66H94O27/c1-31(67)79-29-43-47(82-33(3)69)49(84-35(5)71)54(87-38(8)74)58(89-43)93-60(77)66-26-24-61(10,11)28-41(66)40-18-19-45-63(14)22-21-46(62(12,13)44(63)20-23-65(45,16)64(40,15)25-27-66)90-59-55(88-39(9)75)51(85-36(6)72)50(52(92-59)56(76)78-17)91-57-53(86-37(7)73)48(83-34(4)70)42(30-80-57)81-32(2)68/h18,41-55,57-59H,19-30H2,1-17H3/t41-,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52-,53-,54+,55+,57+,58-,59+,63-,64+,65+,66-/m0/s1 |
| InChIKey | MTSRFKLSAMFQSB-HHWNSDTPSA-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 | 1319.456 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23502 |