| SpectraBase Compound ID | 9zsQBqGiRma |
|---|---|
| InChI | InChI=1S/C75H93N3O36S3/c1-37(79)76-61-55(103-43(7)85)31-73(70(94)97-16,112-67(61)64(109-49(13)91)58(106-46(10)88)34-100-40(4)82)115-25-19-22-52-28-53(23-20-26-116-74(71(95)98-17)32-56(104-44(8)86)62(77-38(2)80)68(113-74)65(110-50(14)92)59(107-47(11)89)35-101-41(5)83)30-54(29-52)24-21-27-117-75(72(96)99-18)33-57(105-45(9)87)63(78-39(3)81)69(114-75)66(111-51(15)93)60(108-48(12)90)36-102-42(6)84/h28-30,55-69H,25-27,31-36H2,1-18H3,(H,76,79)(H,77,80)(H,78,81)/t55-,56-,57+,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68+,69-,73-,74-,75+/m0/s1 |
| InChIKey | OFRWRGCMGVQEGA-DLBLYCIPSA-N |
| Mol Weight | 1708.7 g/mol |
| Molecular Formula | C75H93N3O36S3 |
| Exact Mass | 1707.47009 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5JCl4InLF6 |
|---|---|
| Name | 1,3,5-TRIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLTHIOONATE-PROP-2-YNYL)-BENZENE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H93N3O36S3 |
| InChI | InChI=1S/C75H93N3O36S3/c1-37(79)76-61-55(103-43(7)85)31-73(70(94)97-16,112-67(61)64(109-49(13)91)58(106-46(10)88)34-100-40(4)82)115-25-19-22-52-28-53(23-20-26-116-74(71(95)98-17)32-56(104-44(8)86)62(77-38(2)80)68(113-74)65(110-50(14)92)59(107-47(11)89)35-101-41(5)83)30-54(29-52)24-21-27-117-75(72(96)99-18)33-57(105-45(9)87)63(78-39(3)81)69(114-75)66(111-51(15)93)60(108-48(12)90)36-102-42(6)84/h28-30,55-69H,25-27,31-36H2,1-18H3,(H,76,79)(H,77,80)(H,78,81)/t55-,56-,57+,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68+,69-,73-,74-,75+/m0/s1 |
| InChIKey | OFRWRGCMGVQEGA-DLBLYCIPSA-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 | 1708.742 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29945 |