![3-O-[2',3'-DI-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-DI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID](/api/spectrum/KJOIZMjW6Lj/structure.png?h=300&w=458 "3-O-[2',3'-DI-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-DI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID")
| SpectraBase Compound ID | CnCOMXbxA3a |
|---|---|
| InChI | InChI=1S/C68H98O28/c1-32(69)81-29-44-50(84-35(4)72)53(87-38(7)75)56(89-40(9)77)60(92-44)95-55-52(86-37(6)74)46(31-83-34(3)71)91-59(58(55)96-61-57(90-41(10)78)54(88-39(8)76)51(85-36(5)73)45(93-61)30-82-33(2)70)94-49-21-22-65(15)47(64(49,13)14)20-23-67(17)48(65)19-18-42-43-28-63(11,12)24-26-68(43,62(79)80)27-25-66(42,67)16/h18,43-61H,19-31H2,1-17H3,(H,79,80)/t43?,44-,45+,46-,47?,48?,49?,50-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60+,61-,65?,66?,67?,68?/m0/s1 |
| InChIKey | ZUKYYWQEHVVBEZ-SYQXBCDESA-N |
| Mol Weight | 1363.5 g/mol |
| Molecular Formula | C68H98O28 |
| Exact Mass | 1362.624462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJOIZMjW6Lj |
|---|---|
| Name | 3-O-[2',3'-DI-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-DI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC_ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H98O28 |
| InChI | InChI=1S/C68H98O28/c1-32(69)81-29-44-50(84-35(4)72)53(87-38(7)75)56(89-40(9)77)60(92-44)95-55-52(86-37(6)74)46(31-83-34(3)71)91-59(58(55)96-61-57(90-41(10)78)54(88-39(8)76)51(85-36(5)73)45(93-61)30-82-33(2)70)94-49-21-22-65(15)47(64(49,13)14)20-23-67(17)48(65)19-18-42-43-28-63(11,12)24-26-68(43,62(79)80)27-25-66(42,67)16/h18,43-61H,19-31H2,1-17H3,(H,79,80)/t43?,44-,45+,46-,47?,48?,49?,50-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60+,61-,65?,66?,67?,68?/m0/s1 |
| InChIKey | ZUKYYWQEHVVBEZ-SYQXBCDESA-N |
| Literature Reference Author | E.LEMMICH,C.CORNETT,P.FURU,C.L.JORSTIAN,A.D.KNUDSEN,C.E.OLSE N,A.SALIH,S.T.THIILB |
| Literature Reference Citation | PHYTOCHEM.,39,63(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00866-R |
| Molecular Weight | 1363.509 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ8303 |