| SpectraBase Compound ID | AiR3FlaRWQ4 |
|---|---|
| InChI | InChI=1S/C55H88N4O61S6.10Na/c1-9(2)103-54-38(119-125(95,96)97)29(73)36(42(117-54)46(79)80)113-50-18(58-121(83,84)85)23(67)31(12(5-60)104-50)109-53-28(72)26(70)35(41(116-53)45(77)78)112-49-17(57-11(4)63)22(66)33(15(107-49)8-102-124(92,93)94)110-55-39(120-126(98,99)100)30(74)37(43(118-55)47(81)82)114-51-19(59-122(86,87)88)24(68)32(13(6-61)105-51)108-52-27(71)25(69)34(40(115-52)44(75)76)111-48-16(56-10(3)62)21(65)20(64)14(106-48)7-101-123(89,90)91;;;;;;;;;;/h9,12-43,48-55,58-61,64-74H,5-8H2,1-4H3,(H,56,62)(H,57,63)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100);;;;;;;;;;/q;10*+1/p-10/t12-,13-,14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42+,43+,48-,49+,50-,51-,52+,53-,54+,55+;;;;;;;;;;/m0........../s1 |
| InChIKey | MODHWCBJVDRTOV-UDVUKAQSSA-D |
| Mol Weight | 2193.45369282 g/mol |
| Molecular Formula | C55H78N4Na10O61S6 |
| Exact Mass | 2192.04256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4t1UNnb19gL |
|---|---|
| Name | #4;ISOPROPYL-O-(2-ACETAMIDO-2-DEOXY-6-O-SULFO-ALPHA-D-GLUCOPYRANOSYL-(1->4)-O-(ALPHA-L-IDOPYRANOSYLURONIC-ACID-(1->4)-O-(2-DEOXY-2-SULFAMIDE-ALPHA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H78N4Na10O61S6 |
| InChI | InChI=1S/C55H88N4O61S6.10Na/c1-9(2)103-54-38(119-125(95,96)97)29(73)36(42(117-54)46(79)80)113-50-18(58-121(83,84)85)23(67)31(12(5-60)104-50)109-53-28(72)26(70)35(41(116-53)45(77)78)112-49-17(57-11(4)63)22(66)33(15(107-49)8-102-124(92,93)94)110-55-39(120-126(98,99)100)30(74)37(43(118-55)47(81)82)114-51-19(59-122(86,87)88)24(68)32(13(6-61)105-51)108-52-27(71)25(69)34(40(115-52)44(75)76)111-48-16(56-10(3)62)21(65)20(64)14(106-48)7-101-123(89,90)91;;;;;;;;;;/h9,12-43,48-55,58-61,64-74H,5-8H2,1-4H3,(H,56,62)(H,57,63)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100);;;;;;;;;;/q;10*+1/p-10/t12-,13-,14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38+,39+,40+,41-,42+,43+,48-,49+,50-,51-,52+,53-,54+,55+;;;;;;;;;;/m0........../s1 |
| InChIKey | MODHWCBJVDRTOV-UDVUKAQSSA-D |
| Literature Reference Author | R.OJEDA,J.ANGULO,P.M.NIETO,M.MARTIN-LOMAS |
| Literature Reference Citation | CAN.J.CHEM.,80,917(2002) |
| Literature Reference DOI | 10.1139/v02-023 |
| Molecular Weight | 2193.472 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU29967 |