| SpectraBase Compound ID | BFHx5jMdox9 |
|---|---|
| InChI | InChI=1S/C98H122N4O52/c1-47(103)99-79-71(139-55(9)111)39-95(91(123)127-21,151-87(79)83(147-63(17)119)75(143-59(13)115)43-131-51(5)107)135-33-25-29-67-37-69(31-27-35-137-97(93(125)129-23)41-73(141-57(11)113)81(101-49(3)105)89(153-97)85(149-65(19)121)77(145-61(15)117)45-133-53(7)109)70(32-28-36-138-98(94(126)130-24)42-74(142-58(12)114)82(102-50(4)106)90(154-98)86(150-66(20)122)78(146-62(16)118)46-134-54(8)110)38-68(67)30-26-34-136-96(92(124)128-22)40-72(140-56(10)112)80(100-48(2)104)88(152-96)84(148-64(18)120)76(144-60(14)116)44-132-52(6)108/h37-38,71-90H,33-36,39-46H2,1-24H3,(H,99,103)(H,100,104)(H,101,105)(H,102,106)/t71-,72+,73+,74-,75-,76+,77+,78-,79+,80-,81-,82+,83-,84-,85-,86+,87+,88-,89-,90+,95+,96-,97-,98+/m1/s1 |
| InChIKey | FPKBUKZSOMXFAU-OGDQLFCZSA-N |
| Mol Weight | 2188.0 g/mol |
| Molecular Formula | C98H122N4O52 |
| Exact Mass | 2186.70251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1l49w4TK6EX |
|---|---|
| Name | 1,2,4,6-TETRAKIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLOXYONATE-PROP-2-YNYL)-BENZENE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C98H122N4O52 |
| InChI | InChI=1S/C98H122N4O52/c1-47(103)99-79-71(139-55(9)111)39-95(91(123)127-21,151-87(79)83(147-63(17)119)75(143-59(13)115)43-131-51(5)107)135-33-25-29-67-37-69(31-27-35-137-97(93(125)129-23)41-73(141-57(11)113)81(101-49(3)105)89(153-97)85(149-65(19)121)77(145-61(15)117)45-133-53(7)109)70(32-28-36-138-98(94(126)130-24)42-74(142-58(12)114)82(102-50(4)106)90(154-98)86(150-66(20)122)78(146-62(16)118)46-134-54(8)110)38-68(67)30-26-34-136-96(92(124)128-22)40-72(140-56(10)112)80(100-48(2)104)88(152-96)84(148-64(18)120)76(144-60(14)116)44-132-52(6)108/h37-38,71-90H,33-36,39-46H2,1-24H3,(H,99,103)(H,100,104)(H,101,105)(H,102,106)/t71-,72+,73+,74-,75-,76+,77+,78-,79+,80-,81-,82+,83-,84-,85-,86+,87+,88-,89-,90+,95+,96-,97-,98+/m1/s1 |
| InChIKey | FPKBUKZSOMXFAU-OGDQLFCZSA-N |
| Literature Reference Author | Z.GAN,R.ROY |
| Literature Reference Citation | CAN.J.CHEM.,80,908(2002) |
| Literature Reference DOI | 10.1139/v02-053 |
| Molecular Weight | 2188.042 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29946 |