![#11;PSEUDOHEXAFUHALOL-C-HEXADECAACETATE;2,3,4,4',5'-PENTAACETOXY-6-[2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-3'-[3,4,5-TRIACETOXY-2-(3,4,5-TRIACETOXY](/api/spectrum/88flJX935gF/structure.png?h=300&w=458 "#11;PSEUDOHEXAFUHALOL-C-HEXADECAACETATE;2,3,4,4',5'-PENTAACETOXY-6-[2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-3'-[3,4,5-TRIACETOXY-2-(3,4,5-TRIACETOXY")
| SpectraBase Compound ID | 681qDC8ikGQ |
|---|---|
| InChI | InChI=1S/C68H58O37/c1-27(69)85-43-17-50(89-31(5)73)61(51(18-43)90-32(6)74)101-44-19-52(91-33(7)75)62(53(20-44)92-34(8)76)105-58-26-56(94-36(10)78)64(98-40(14)82)68(100-42(16)84)66(58)103-46-23-49(88-30(4)72)60(96-38(12)80)54(24-46)104-57-25-55(93-35(9)77)63(97-39(13)81)67(99-41(15)83)65(57)102-45-21-47(86-28(2)70)59(95-37(11)79)48(22-45)87-29(3)71/h17-26H,1-16H3 |
| InChIKey | XPMCXIIPMHNEBW-UHFFFAOYSA-N |
| Mol Weight | 1467.2 g/mol |
| Molecular Formula | C68H58O37 |
| Exact Mass | 1466.265693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88flJX935gF |
|---|---|
| Name | #11;PSEUDOHEXAFUHALOL-C-HEXADECAACETATE;2,3,4,4',5'-PENTAACETOXY-6-[2,6-DIACETOXY-4-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-3'-[3,4,5-TRIACETOXY-2-(3,4,5-TRIACETOXY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H58O37 |
| InChI | InChI=1S/C68H58O37/c1-27(69)85-43-17-50(89-31(5)73)61(51(18-43)90-32(6)74)101-44-19-52(91-33(7)75)62(53(20-44)92-34(8)76)105-58-26-56(94-36(10)78)64(98-40(14)82)68(100-42(16)84)66(58)103-46-23-49(88-30(4)72)60(96-38(12)80)54(24-46)104-57-25-55(93-35(9)77)63(97-39(13)81)67(99-41(15)83)65(57)102-45-21-47(86-28(2)70)59(95-37(11)79)48(22-45)87-29(3)71/h17-26H,1-16H3 |
| InChIKey | XPMCXIIPMHNEBW-UHFFFAOYSA-N |
| Literature Reference Author | M.KEUSGEN,K.W.GLOMBITZA |
| Literature Reference Citation | PHYTOCHEM.,46,1403(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00510-4 |
| Molecular Weight | 1467.186 g/mol |
| Sample ID | 45694 |
| Solvent | CDCl3 |