| SpectraBase Compound ID | LGxVQsk3VXw |
|---|---|
| InChI | InChI=1S/C44H52O25/c1-16(45)58-14-28-36(61-18(3)47)38(63-20(5)49)40(65-22(7)51)42(68-28)59-15-29-37(62-19(4)48)39(64-21(6)50)41(66-23(8)52)43(69-29)67-25-11-26(57-10)34(54)32-31(25)35(55)30-24(33(32)53)12-44(9,56)13-27(30)60-17(2)46/h11,27-29,36-43,54,56H,12-15H2,1-10H3/t27-,28-,29+,36-,37+,38+,39-,40-,41+,42-,43+,44-/m0/s1 |
| InChIKey | CNQYZUBMTCSNFP-VXXNSEMNSA-N |
| Mol Weight | 980.9 g/mol |
| Molecular Formula | C44H52O25 |
| Exact Mass | 980.279767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 676fNZtWiXj |
|---|---|
| Name | (1S,3S)-AUSTROCORTIRUBIN-8-O-BETA-D-GENTIOBIOSIDE-OCTAACETATE;(1S,3S)-1-ACETOXY-3,5-DIHYDROXY-6-METHOXY-3-METHYL-8-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4 |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52O25 |
| InChI | InChI=1S/C44H52O25/c1-16(45)58-14-28-36(61-18(3)47)38(63-20(5)49)40(65-22(7)51)42(68-28)59-15-29-37(62-19(4)48)39(64-21(6)50)41(66-23(8)52)43(69-29)67-25-11-26(57-10)34(54)32-31(25)35(55)30-24(33(32)53)12-44(9,56)13-27(30)60-17(2)46/h11,27-29,36-43,54,56H,12-15H2,1-10H3/t27-,28-,29+,36-,37+,38+,39-,40-,41+,42-,43+,44-/m0/s1 |
| InChIKey | CNQYZUBMTCSNFP-VXXNSEMNSA-N |
| Literature Reference Author | M.GILL,A.F.SMRDEL |
| Literature Reference Citation | AUSTR.J.CHEM.,53,47(2000) |
| Literature Reference DOI | 10.1071/CH99176 |
| Molecular Weight | 980.882 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2849 |