![#15;PHENYL-[5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL-(1'->2)-LACTONE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRA](/api/spectrum/2COwv2jLQAS/structure.png?h=300&w=458 "#15;PHENYL-[5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL-(1'->2)-LACTONE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRA")
| SpectraBase Compound ID | 38T5KFEfETG |
|---|---|
| InChI | InChI=1S/C85H73NO25S/c1-51(87)86-65-61(101-77(92)55-35-17-5-18-36-55)47-85(110-69(65)66(88)62(102-78(93)56-37-19-6-20-38-56)48-98-74(89)52-29-11-2-12-30-52)84(97)109-72-71(111-85)68(105-79(94)57-39-21-7-22-40-57)63(49-99-75(90)53-31-13-3-14-32-53)103-82(72)108-67-64(50-100-76(91)54-33-15-4-16-34-54)104-83(112-60-45-27-10-28-46-60)73(107-81(96)59-43-25-9-26-44-59)70(67)106-80(95)58-41-23-8-24-42-58/h2-46,61-73,82-83,88H,47-50H2,1H3,(H,86,87)/t61-,62+,63-,64-,65+,66-,67-,68+,69+,70+,71+,72-,73-,82+,83+,85-/m1/s1 |
| InChIKey | WDBVMOOCJCWQBA-AMXLRJBNSA-N |
| Mol Weight | 1540.6 g/mol |
| Molecular Formula | C85H73NO25S |
| Exact Mass | 1539.419238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2COwv2jLQAS |
|---|---|
| Name | #15;PHENYL-[5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL-(1'->2)-LACTONE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H73NO25S |
| InChI | InChI=1S/C85H73NO25S/c1-51(87)86-65-61(101-77(92)55-35-17-5-18-36-55)47-85(110-69(65)66(88)62(102-78(93)56-37-19-6-20-38-56)48-98-74(89)52-29-11-2-12-30-52)84(97)109-72-71(111-85)68(105-79(94)57-39-21-7-22-40-57)63(49-99-75(90)53-31-13-3-14-32-53)103-82(72)108-67-64(50-100-76(91)54-33-15-4-16-34-54)104-83(112-60-45-27-10-28-46-60)73(107-81(96)59-43-25-9-26-44-59)70(67)106-80(95)58-41-23-8-24-42-58/h2-46,61-73,82-83,88H,47-50H2,1H3,(H,86,87)/t61-,62+,63-,64-,65+,66-,67-,68+,69+,70+,71+,72-,73-,82+,83+,85-/m1/s1 |
| InChIKey | WDBVMOOCJCWQBA-AMXLRJBNSA-N |
| Literature Reference Author | S.MEHTA,M.GILBERT,W.W.WAKARCHUK,D.M.WHITFIELD |
| Literature Reference Citation | ORG.LETTERS,2,751(2000) |
| Literature Reference DOI | 10.1021/ol990406k |
| Molecular Weight | 1540.566 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33362 |