![#4;N-TETRADECANOYL-O-[2-DEOXY-2-[(R)-3-TETRADECANOYLOXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-L-SERYL-BETA-ALANYL-[O-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALP](/api/spectrum/2P6PRSYJr5l/structure.png?h=300&w=458 "#4;N-TETRADECANOYL-O-[2-DEOXY-2-[(R)-3-TETRADECANOYLOXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-L-SERYL-BETA-ALANYL-[O-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALP")
| SpectraBase Compound ID | L1MY5F9Cb1Y |
|---|---|
| InChI | InChI=1S/C80H144N8O27/c1-7-10-13-16-19-22-24-27-30-33-36-39-63(97)87-57(50-110-78-68(73(104)70(101)60(48-90)113-78)88-64(98)45-55(38-35-32-29-26-21-18-15-12-9-3)112-65(99)40-37-34-31-28-25-23-20-17-14-11-8-2)76(106)82-42-41-62(96)81-43-44-83-75(105)56(84-52(4)91)49-109-77-67(86-54(6)93)72(103)71(102)61(114-77)51-111-80(79(107)108)46-58(94)66(85-53(5)92)74(115-80)69(100)59(95)47-89/h55-61,66-74,77-78,89-90,94-95,100-104H,7-51H2,1-6H3,(H,81,96)(H,82,106)(H,83,105)(H,84,91)(H,85,92)(H,86,93)(H,87,97)(H,88,98)(H,107,108)/t55?,56-,57+,58+,59-,60+,61-,66-,67-,68+,69-,70+,71+,72-,73+,74-,77+,78+,80-/m1/s1 |
| InChIKey | QVBQCMNKOKCXOO-FOGANAQDSA-N |
| Mol Weight | 1650.1 g/mol |
| Molecular Formula | C80H144N8O27 |
| Exact Mass | 1649.014091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2P6PRSYJr5l |
|---|---|
| Name | #4;N-TETRADECANOYL-O-[2-DEOXY-2-[(R)-3-TETRADECANOYLOXYTETRADECANOYLAMINO]-BETA-D-GLUCOPYRANOSYL]-L-SERYL-BETA-ALANYL-[O-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H144N8O27 |
| InChI | InChI=1S/C80H144N8O27/c1-7-10-13-16-19-22-24-27-30-33-36-39-63(97)87-57(50-110-78-68(73(104)70(101)60(48-90)113-78)88-64(98)45-55(38-35-32-29-26-21-18-15-12-9-3)112-65(99)40-37-34-31-28-25-23-20-17-14-11-8-2)76(106)82-42-41-62(96)81-43-44-83-75(105)56(84-52(4)91)49-109-77-67(86-54(6)93)72(103)71(102)61(114-77)51-111-80(79(107)108)46-58(94)66(85-53(5)92)74(115-80)69(100)59(95)47-89/h55-61,66-74,77-78,89-90,94-95,100-104H,7-51H2,1-6H3,(H,81,96)(H,82,106)(H,83,105)(H,84,91)(H,85,92)(H,86,93)(H,87,97)(H,88,98)(H,107,108)/t55?,56-,57+,58+,59-,60+,61-,66-,67-,68+,69-,70+,71+,72-,73+,74-,77+,78+,80-/m1/s1 |
| InChIKey | QVBQCMNKOKCXOO-FOGANAQDSA-N |
| Literature Reference Author | K.MIYAJIMA,T.NEKADO,K.IKEDA,K.ACHIWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1676(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1676 |
| Molecular Weight | 1650.061 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWMS20766 |