| SpectraBase Compound ID | Fr7BdMMRYO0 |
|---|---|
| InChI | InChI=1S/C69H112O36/c1-25-37(78)41(82)43(84)56(95-25)100-49-31(76)21-92-55(45(49)86)99-48-26(2)96-58(47(88)51(48)102-61-53(89)68(91,23-73)24-94-61)103-52-38(79)30(75)20-93-60(52)105-62(90)69-14-13-63(3,4)15-28(69)27-9-10-35-64(5)16-29(74)54(65(6,22-72)34(64)11-12-66(35,7)67(27,8)17-36(69)77)104-59-46(87)50(40(81)33(19-71)98-59)101-57-44(85)42(83)39(80)32(18-70)97-57/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66+,67+,68+,69+/m0/s1 |
| InChIKey | PSYDJQDOKUFNDZ-UXAQFJFLSA-N |
| Mol Weight | 1517.6 g/mol |
| Molecular Formula | C69H112O36 |
| Exact Mass | 1516.69333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Z9JiaghINh |
|---|---|
| Name | #2;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,16-ALPHA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O36 |
| InChI | InChI=1S/C69H112O36/c1-25-37(78)41(82)43(84)56(95-25)100-49-31(76)21-92-55(45(49)86)99-48-26(2)96-58(47(88)51(48)102-61-53(89)68(91,23-73)24-94-61)103-52-38(79)30(75)20-93-60(52)105-62(90)69-14-13-63(3,4)15-28(69)27-9-10-35-64(5)16-29(74)54(65(6,22-72)34(64)11-12-66(35,7)67(27,8)17-36(69)77)104-59-46(87)50(40(81)33(19-71)98-59)101-57-44(85)42(83)39(80)32(18-70)97-57/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66+,67+,68+,69+/m0/s1 |
| InChIKey | PSYDJQDOKUFNDZ-UXAQFJFLSA-N |
| Literature Reference Author | B.HERNANDEZ-CARLOS,M.CARMONA-PINEDA,C.VILLANUEVA-CANONGO,J.F .LOPEZ-OLGUIN,A.ARAG |
| Literature Reference Citation | MAGN.RES.CHEM.,47,994(2009) |
| Literature Reference DOI | 10.1002/mrc.2487 |
| Molecular Weight | 1517.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU80181 |