![#14;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/Eit3Pc0bC9l/structure.png?h=300&w=458 "#14;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 | HVQZIpqyM59 |
|---|---|
| InChI | InChI=1S/C79H88N2O28/c1-12-13-28-39-95-75-65(81-73(91)58-37-26-27-38-59(58)74(81)92)69(98-41-54-29-18-14-19-30-54)66(63(105-75)44-99-79(55-31-20-15-21-32-55,56-33-22-16-23-34-56)57-35-24-17-25-36-57)107-76-72(104-53(10)90)71(68(103-52(9)89)62(106-76)43-97-48(5)85)109-78(77(93)94-11)40-60(100-49(6)86)64(80(45(2)82)46(3)83)70(108-78)67(102-51(8)88)61(101-50(7)87)42-96-47(4)84/h12,14-27,29-38,60-72,75-76H,1,13,28,39-44H2,2-11H3/t60-,61-,62-,63-,64+,65-,66-,67+,68+,69-,70+,71+,72-,75-,76+,78-/m0/s1 |
| InChIKey | DEHYPULCDAIGGT-BTHFYMKBSA-N |
| Mol Weight | 1513.6 g/mol |
| Molecular Formula | C79H88N2O28 |
| Exact Mass | 1512.55236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eit3Pc0bC9l |
|---|---|
| Name | #14;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 | C79H88N2O28 |
| InChI | InChI=1S/C79H88N2O28/c1-12-13-28-39-95-75-65(81-73(91)58-37-26-27-38-59(58)74(81)92)69(98-41-54-29-18-14-19-30-54)66(63(105-75)44-99-79(55-31-20-15-21-32-55,56-33-22-16-23-34-56)57-35-24-17-25-36-57)107-76-72(104-53(10)90)71(68(103-52(9)89)62(106-76)43-97-48(5)85)109-78(77(93)94-11)40-60(100-49(6)86)64(80(45(2)82)46(3)83)70(108-78)67(102-51(8)88)61(101-50(7)87)42-96-47(4)84/h12,14-27,29-38,60-72,75-76H,1,13,28,39-44H2,2-11H3/t60-,61-,62-,63-,64+,65-,66-,67+,68+,69-,70+,71+,72-,75-,76+,78-/m0/s1 |
| InChIKey | DEHYPULCDAIGGT-BTHFYMKBSA-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 | 1513.564 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU26586 |