| SpectraBase Compound ID | 2lXhio8nzFU |
|---|---|
| InChI | InChI=1S/C80H116O56P2Si.2C6H15N/c1-31(81)104-25-50-59(65(116-40(10)90)68(119-43(13)93)74(126-50)125-49(19)99)132-75-69(120-44(14)94)62(113-37(7)87)56(110-34(4)84)53(127-75)28-107-137(100,101)135-78-72(123-47(17)97)66(117-41(11)91)60(51(130-78)26-105-32(2)82)133-76-70(121-45(15)95)63(114-38(8)88)57(111-35(5)85)54(128-76)29-108-138(102,103)136-79-73(124-48(18)98)67(118-42(12)92)61(52(131-79)27-106-33(3)83)134-77-71(122-46(16)96)64(115-39(9)89)58(112-36(6)86)55(129-77)30-109-139(23,24)80(20,21)22;2*1-4-7(5-2)6-3/h50-79H,25-30H2,1-24H3,(H,100,101)(H,102,103);2*4-6H2,1-3H3/t50-,51+,52-,53-,54-,55-,56+,57+,58+,59-,60+,61-,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72-,73+,74+,75+,76+,77+,78-,79-;;/m1../s1 |
| InChIKey | JKSMWBNTGGSWLV-SYJXETMKSA-N |
| Mol Weight | 2266.17 g/mol |
| Molecular Formula | C92H146N2O56P2Si |
| Exact Mass | 2264.788272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYQ88a9lEac |
|---|---|
| Name | #10;2,3,4-tri-o-Acetyl-beta-D-galactopyranosyl-(1->4)-1,2,3,6-tetra-o-acetyl-alpha-D-mannopyranoside-6-[2,3,4-tri-o-acetyl-6-o-(tert.-butyldimethylsilyl)-beta- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 2264.788271904 u |
| Formula | C92H146N2O56P2Si |
| InChI | InChI=1S/C80H116O56P2Si.2C6H15N/c1-31(81)104-25-50-59(65(116-40(10)90)68(119-43(13)93)74(126-50)125-49(19)99)132-75-69(120-44(14)94)62(113-37(7)87)56(110-34(4)84)53(127-75)28-107-137(100,101)135-78-72(123-47(17)97)66(117-41(11)91)60(51(130-78)26-105-32(2)82)133-76-70(121-45(15)95)63(114-38(8)88)57(111-35(5)85)54(128-76)29-108-138(102,103)136-79-73(124-48(18)98)67(118-42(12)92)61(52(131-79)27-106-33(3)83)134-77-71(122-46(16)96)64(115-39(9)89)58(112-36(6)86)55(129-77)30-109-139(23,24)80(20,21)22;2*1-4-7(5-2)6-3/h50-79H,25-30H2,1-24H3,(H,100,101)(H,102,103);2*4-6H2,1-3H3/t50-,51+,52-,53-,54-,55-,56+,57+,58+,59-,60+,61-,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72-,73+,74+,75+,76+,77+,78-,79-;;/m1../s1 |
| InChIKey | JKSMWBNTGGSWLV-SYJXETMKSA-N |
| Molecular Weight | 2266.171 g/mol |
| SMILES | C([NH+](CC)CC)C.[C@]1(O[C@@]([C@]([C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(O[C@]1([C@@]([C@]([C@]([C@](O1)(COP(=O)([O-])O[C@@]1([C@@]([C@@]([C@]([C@@](O1)(COC(=O)C)[H])(O[C@]1([C@@]([C@]([C@]([C@](O1)(COP(=O)([O-])O[C@@]1([C@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(O[C@]1([C@@]([C@]([C@]([C@](O1)(CO[Si](C)(C)C(C)(C)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(COC(=O)C)[H])(OC(=O)C)[H].C([NH+](CC)CC)C |