| SpectraBase Compound ID | wzvjNfFrdM |
|---|---|
| InChI | InChI=1S/C87H104O20/c1-9-10-32-49-95-81-79(106-84(90)86(3,4)5)75(97-54-65-41-26-15-27-42-65)73(69(100-81)58-93-51-62-35-20-12-21-36-62)105-83-80(107-85(91)87(6,7)8)76(98-55-66-43-28-16-29-44-66)74(70(102-83)59-94-52-63-37-22-13-23-38-63)104-82-78(99-56-67-45-30-17-31-46-67)77(103-71(89)48-47-60(2)88)72(96-53-64-39-24-14-25-40-64)68(101-82)57-92-50-61-33-18-11-19-34-61/h9,11-31,33-46,68-70,72-83H,1,10,32,47-59H2,2-8H3/t68-,69-,70-,72+,73-,74+,75+,76+,77+,78-,79-,80-,81-,82-,83+/m0/s1 |
| InChIKey | BKMUPHSHACLNSA-RBSYBPPZSA-N |
| Mol Weight | 1469.8 g/mol |
| Molecular Formula | C87H104O20 |
| Exact Mass | 1468.712096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjHzzjxXHNt |
|---|---|
| Name | #22;N-PENTENYL-2,4,6-TRI-O-BENZYL-3-O-LEVULINOYL-ALPHA-D-GALACTOPYRANOSYL-(1->4)-3,6-DI-O-BENZOYL-2-O-PIVALOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-3,6-DI-O-BENZYL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H104O20 |
| InChI | InChI=1S/C87H104O20/c1-9-10-32-49-95-81-79(106-84(90)86(3,4)5)75(97-54-65-41-26-15-27-42-65)73(69(100-81)58-93-51-62-35-20-12-21-36-62)105-83-80(107-85(91)87(6,7)8)76(98-55-66-43-28-16-29-44-66)74(70(102-83)59-94-52-63-37-22-13-23-38-63)104-82-78(99-56-67-45-30-17-31-46-67)77(103-71(89)48-47-60(2)88)72(96-53-64-39-24-14-25-40-64)68(101-82)57-92-50-61-33-18-11-19-34-61/h9,11-31,33-46,68-70,72-83H,1,10,32,47-59H2,2-8H3/t68-,69-,70-,72+,73-,74+,75+,76+,77+,78-,79-,80-,81-,82-,83+/m0/s1 |
| InChIKey | BKMUPHSHACLNSA-RBSYBPPZSA-N |
| Literature Reference Author | F.BOSSE,L.A.MARCAURELLE,P.H.SEEBERGER |
| Literature Reference Citation | J.ORG.CHEM.,67,6659(2002) |
| Literature Reference DOI | 10.1021/jo025834+ |
| Molecular Weight | 1469.771 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24987 |