![#28;ALLYL-[2-THIO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL](/api/spectrum/B67juyWLHdT/structure.png?h=300&w=458 "#28;ALLYL-[2-THIO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL")
| SpectraBase Compound ID | Jxi7H0RCE95 |
|---|---|
| InChI | InChI=1S/C77H82O15S/c1-2-43-80-75-71(68(83-48-58-35-19-7-20-36-58)65(81-46-56-31-15-5-16-32-56)62(87-75)51-78-44-54-27-11-3-12-28-54)91-76-72(92-77-73(93)70(85-50-60-39-23-9-24-40-60)67-64(89-77)53-86-74(90-67)61-41-25-10-26-42-61)69(84-49-59-37-21-8-22-38-59)66(82-47-57-33-17-6-18-34-57)63(88-76)52-79-45-55-29-13-4-14-30-55/h2-42,62-77,93H,1,43-53H2/t62-,63-,64+,65-,66-,67+,68+,69+,70-,71+,72+,73-,74+,75-,76+,77-/m0/s1 |
| InChIKey | UCYWEXKWNMBKOR-FDSOKSBWSA-N |
| Mol Weight | 1279.5 g/mol |
| Molecular Formula | C77H82O15S |
| Exact Mass | 1278.537443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B67juyWLHdT |
|---|---|
| Name | #28;ALLYL-[2-THIO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H82O15S |
| InChI | InChI=1S/C77H82O15S/c1-2-43-80-75-71(68(83-48-58-35-19-7-20-36-58)65(81-46-56-31-15-5-16-32-56)62(87-75)51-78-44-54-27-11-3-12-28-54)91-76-72(92-77-73(93)70(85-50-60-39-23-9-24-40-60)67-64(89-77)53-86-74(90-67)61-41-25-10-26-42-61)69(84-49-59-37-21-8-22-38-59)66(82-47-57-33-17-6-18-34-57)63(88-76)52-79-45-55-29-13-4-14-30-55/h2-42,62-77,93H,1,43-53H2/t62-,63-,64+,65-,66-,67+,68+,69+,70-,71+,72+,73-,74+,75-,76+,77-/m0/s1 |
| InChIKey | UCYWEXKWNMBKOR-FDSOKSBWSA-N |
| Literature Reference Author | M.NITZ,D.R.BUNDLE |
| Literature Reference Citation | J.ORG.CHEM.,66,8411(2001) |
| Literature Reference DOI | 10.1021/jo010570x |
| Molecular Weight | 1279.549 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29165 |