![#15;PENT-4-ENYL-O-[METHYL-4,7,8,9-TETRA-O-ACETYL-5-(N-ACETYLACETAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSYLONATE]-(2->3)-O-(2,4,6-TRI-O-ACET](/api/spectrum/CW3iTL8r6Bn/structure.png?h=300&w=458 "#15;PENT-4-ENYL-O-[METHYL-4,7,8,9-TETRA-O-ACETYL-5-(N-ACETYLACETAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSYLONATE]-(2->3)-O-(2,4,6-TRI-O-ACET")
| SpectraBase Compound ID | LOVQpSK285Z |
|---|---|
| InChI | InChI=1S/C86H108N2O45/c1-19-20-26-31-109-81-65(88-79(105)56-29-24-25-30-57(56)80(88)106)71(114-33-55-27-22-21-23-28-55)66(63(126-81)38-115-82-76(123-52(15)102)74(122-51(14)101)69(61(127-82)36-112-43(6)93)131-83-77(124-53(16)103)73(121-50(13)100)68(119-48(11)98)60(128-83)35-111-42(5)92)130-84-78(125-54(17)104)75(70(120-49(12)99)62(129-84)37-113-44(7)94)133-86(85(107)108-18)32-58(116-45(8)95)64(87(39(2)89)40(3)90)72(132-86)67(118-47(10)97)59(117-46(9)96)34-110-41(4)91/h19,21-25,27-30,58-78,81-84H,1,20,26,31-38H2,2-18H3/t58-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74+,75-,76-,77+,78+,81+,82-,83-,84-,86-/m1/s1 |
| InChIKey | JSFFYJNSYZSGFP-UZMKBKHBSA-N |
| Mol Weight | 1889.8 g/mol |
| Molecular Formula | C86H108N2O45 |
| Exact Mass | 1888.622409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CW3iTL8r6Bn |
|---|---|
| Name | #15;PENT-4-ENYL-O-[METHYL-4,7,8,9-TETRA-O-ACETYL-5-(N-ACETYLACETAMIDO)-3,5-DIDEOXY-D-GYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSYLONATE]-(2->3)-O-(2,4,6-TRI-O-ACET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H108N2O45 |
| InChI | InChI=1S/C86H108N2O45/c1-19-20-26-31-109-81-65(88-79(105)56-29-24-25-30-57(56)80(88)106)71(114-33-55-27-22-21-23-28-55)66(63(126-81)38-115-82-76(123-52(15)102)74(122-51(14)101)69(61(127-82)36-112-43(6)93)131-83-77(124-53(16)103)73(121-50(13)100)68(119-48(11)98)60(128-83)35-111-42(5)92)130-84-78(125-54(17)104)75(70(120-49(12)99)62(129-84)37-113-44(7)94)133-86(85(107)108-18)32-58(116-45(8)95)64(87(39(2)89)40(3)90)72(132-86)67(118-47(10)97)59(117-46(9)96)34-110-41(4)91/h19,21-25,27-30,58-78,81-84H,1,20,26,31-38H2,2-18H3/t58-,59-,60+,61-,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74+,75-,76-,77+,78+,81+,82-,83-,84-,86-/m1/s1 |
| InChIKey | JSFFYJNSYZSGFP-UZMKBKHBSA-N |
| Literature Reference Author | A.V.DEMCHENKO,G.J.BOONS |
| Literature Reference Citation | J.ORG.CHEM.,66,2547(2001) |
| Literature Reference DOI | 10.1021/jo001477w |
| Molecular Weight | 1889.790 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU26587 |