| SpectraBase Compound ID | 3fNct7P5UE9 |
|---|---|
| InChI | InChI=1S/C54H61NO16S/c1-5-6-7-8-9-18-29-62-38-25-27-39(28-26-38)72(61)54-49(48(64-30-36-19-12-10-13-20-36)46-43(69-54)32-65-52(70-46)37-21-14-11-15-22-37)71-53-44(55-50(59)40-23-16-17-24-41(40)51(55)60)47(67-35(4)58)45(66-34(3)57)42(68-53)31-63-33(2)56/h10-17,19-28,42-49,52-54H,5-9,18,29-32H2,1-4H3/t42-,43+,44-,45-,46+,47-,48-,49+,52+,53+,54-,72?/m1/s1 |
| InChIKey | LDYYARPGBJBZIK-ZFEMTKJGSA-N |
| Mol Weight | 1012.1 g/mol |
| Molecular Formula | C54H61NO16S |
| Exact Mass | 1011.371106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70iZPB42uQh |
|---|---|
| Name | 3,4,6-TRI-O-ACETYL-2-N-PHTHALOYL-BETA-(1->2)-D-GLUCOSAMINYL-3-O-BENZYL-(4,6)-BENZYLIDENE-BETA-D-MANOPYRANOSYL-PARA-OCTYLOXYPHENYL-SULFOXIDE |
| Compound Number | 6D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H61NO16S |
| InChI | InChI=1S/C54H61NO16S/c1-5-6-7-8-9-18-29-62-38-25-27-39(28-26-38)72(61)54-49(48(64-30-36-19-12-10-13-20-36)46-43(69-54)32-65-52(70-46)37-21-14-11-15-22-37)71-53-44(55-50(59)40-23-16-17-24-41(40)51(55)60)47(67-35(4)58)45(66-34(3)57)42(68-53)31-63-33(2)56/h10-17,19-28,42-49,52-54H,5-9,18,29-32H2,1-4H3/t42-,43+,44-,45-,46+,47-,48-,49+,52+,53+,54-,72?/m1/s1 |
| InChIKey | LDYYARPGBJBZIK-ZFEMTKJGSA-N |
| Literature Reference Author | T.KAJIMOTO,K.ARMITSU,M.OZEKI,M.NODE |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,758(2010) |
| Literature Reference DOI | 10.1248/cpb.58.758 |
| Molecular Weight | 1012.135 g/mol |
| Source File Reference | UWBT4080 |