| SpectraBase Compound ID | J22CzgYGiYH |
|---|---|
| InChI | InChI=1S/C37H44O18/c1-9-25-26(14-15-47-31(43)13-11-24-10-12-28(50-20(3)39)29(16-24)45-7)27(35(44)46-8)17-49-36(25)55-37-34(53-23(6)42)33(52-22(5)41)32(51-21(4)40)30(54-37)18-48-19(2)38/h9-13,16-17,25-26,30,32-34,36-37H,1,14-15,18H2,2-8H3/b13-11+/t25-,26+,30+,32+,33-,34+,36+,37-/m0/s1 |
| InChIKey | CXXCVUPMWCMTCQ-QWAMJFQYSA-N |
| Mol Weight | 776.7 g/mol |
| Molecular Formula | C37H44O18 |
| Exact Mass | 776.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBxGAla3JP9 |
|---|---|
| Name | METHYL-GRANDIFLOROSIDE-PENTAACETATE |
| Compound Number | 189 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O18 |
| InChI | InChI=1S/C37H44O18/c1-9-25-26(14-15-47-31(43)13-11-24-10-12-28(50-20(3)39)29(16-24)45-7)27(35(44)46-8)17-49-36(25)55-37-34(53-23(6)42)33(52-22(5)41)32(51-21(4)40)30(54-37)18-48-19(2)38/h9-13,16-17,25-26,30,32-34,36-37H,1,14-15,18H2,2-8H3/b13-11+/t25-,26+,30+,32+,33-,34+,36+,37-/m0/s1 |
| InChIKey | CXXCVUPMWCMTCQ-QWAMJFQYSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 776.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4560 |