SpectraBase Compound ID | HD51EMxXKdG |
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InChI | InChI=1S/C65H78O36/c1-29-52(91-36(8)72)55(93-38(10)74)59(100-62-57(94-39(11)75)54(92-37(9)73)49(25-81-62)90-35(7)71)63(85-29)99-56-53(98-51(79)20-17-43-15-18-45(86-31(3)67)47(23-43)88-33(5)69)50(26-82-64-60(96-41(13)77)65(28-84-64,101-42(14)78)27-83-30(2)66)97-61(58(56)95-40(12)76)80-22-21-44-16-19-46(87-32(4)68)48(24-44)89-34(6)70/h15-20,23-24,29,49-50,52-64H,21-22,25-28H2,1-14H3/b20-17+/t29-,49-,50-,52-,53-,54-,55+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+/m0/s1 |
InChIKey | NMTHQWQYEAVVRR-YTKVBMBGSA-N |
Mol Weight | 1435.3 g/mol |
Molecular Formula | C65H78O36 |
Exact Mass | 1434.427279 g/mol |
SpectraBase Spectrum ID | G3aCbTFEbE0 |
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Name | (3,4-DIACETOXYPHENYL)-2-ETHYL-[TRIACETYL-ALPHA-L-ARABINOPYRANOSYL-(1->2)-DIACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-TRIACETYL-BETA-D-APIOFURANOSYL-(1 |
Compound Number | 2 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C65H78O36 |
InChI | InChI=1S/C65H78O36/c1-29-52(91-36(8)72)55(93-38(10)74)59(100-62-57(94-39(11)75)54(92-37(9)73)49(25-81-62)90-35(7)71)63(85-29)99-56-53(98-51(79)20-17-43-15-18-45(86-31(3)67)47(23-43)88-33(5)69)50(26-82-64-60(96-41(13)77)65(28-84-64,101-42(14)78)27-83-30(2)66)97-61(58(56)95-40(12)76)80-22-21-44-16-19-46(87-32(4)68)48(24-44)89-34(6)70/h15-20,23-24,29,49-50,52-64H,21-22,25-28H2,1-14H3/b20-17+/t29-,49-,50-,52-,53-,54-,55+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+/m0/s1 |
InChIKey | NMTHQWQYEAVVRR-YTKVBMBGSA-N |
Literature Reference Author | V.SEIDEL,F.BAILLEUL,F.LIBOT,F.TILLEQUIN |
Literature Reference Citation | PHYTOCHEM.,44,691(1997) |
Literature Reference DOI | 10.1016/S0031-9422(96)00578-X |
Molecular Weight | 1435.313 g/mol |
Solvent | CDCl3 |
Source File Reference | UWPA243 |