| SpectraBase Compound ID | 71IDFZcWxKK |
|---|---|
| InChI | InChI=1S/C81H109N5O31S/c1-73(2,3)110-65(92)83(66(93)111-74(4,5)6)101-45-57(88)100-44-55-61(107-58(89)46-102-84(67(94)112-75(7,8)9)68(95)113-76(10,11)12)62(108-59(90)47-103-85(69(96)114-77(13,14)15)70(97)115-78(16,17)18)63(109-60(91)48-104-86(71(98)116-79(19,20)21)72(99)117-80(22,23)24)64(106-55)105-54-42-40-53(41-43-54)82-56(87)49-118-81(50-34-28-25-29-35-50,51-36-30-26-31-37-51)52-38-32-27-33-39-52/h25-43,55,61-64H,44-49H2,1-24H3,(H,82,87)/t55-,61+,62+,63-,64+/m1/s1 |
| InChIKey | QAVDXTQGLNNMTL-NOBQWAKMSA-N |
| Mol Weight | 1680.8 g/mol |
| Molecular Formula | C81H109N5O31S |
| Exact Mass | 1679.682723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVKW0EnqmCc |
|---|---|
| Name | 4-(TRITYLMERCAPTOACETAMIDE)-PHENYL-2,3,4,6-TETRA-O-(BOC2-N-OCH2-CO)-ALPHA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H109N5O31S |
| InChI | InChI=1S/C81H109N5O31S/c1-73(2,3)110-65(92)83(66(93)111-74(4,5)6)101-45-57(88)100-44-55-61(107-58(89)46-102-84(67(94)112-75(7,8)9)68(95)113-76(10,11)12)62(108-59(90)47-103-85(69(96)114-77(13,14)15)70(97)115-78(16,17)18)63(109-60(91)48-104-86(71(98)116-79(19,20)21)72(99)117-80(22,23)24)64(106-55)105-54-42-40-53(41-43-54)82-56(87)49-118-81(50-34-28-25-29-35-50,51-36-30-26-31-37-51)52-38-32-27-33-39-52/h25-43,55,61-64H,44-49H2,1-24H3,(H,82,87)/t55-,61+,62+,63-,64+/m1/s1 |
| InChIKey | QAVDXTQGLNNMTL-NOBQWAKMSA-N |
| Literature Reference Author | J.BRASK,H.WACKERBARTH,K.J.JENSEN,J.ZHANG,I.CHORKENDORFF,J.UL STRUP |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,94(2003) |
| Literature Reference DOI | 10.1021/ja020943r |
| Molecular Weight | 1680.831 g/mol |
| Sample ID | 40302 |
| Solvent | CDCl3 |