| SpectraBase Compound ID | 7b0DjD04VDN |
|---|---|
| InChI | InChI=1S/C41H68O16/c1-18(42)24-11-14-41(49)39(24,6)36(47)31(46)35-38(5)12-10-23(15-22(38)9-13-40(35,41)48)55-27-16-25(43)32(20(3)52-27)56-28-17-26(50-7)33(21(4)53-28)57-37-30(45)34(51-8)29(44)19(2)54-37/h9,18-21,23-37,42-49H,10-17H2,1-8H3/t18?,19-,20+,21+,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1 |
| InChIKey | ZLCOUTDCLMMRAX-YWFWZWCPSA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C41H68O16 |
| Exact Mass | 816.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ExYoQD46Yz |
|---|---|
| Name | MARSECTOHEXOL-3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O16 |
| InChI | InChI=1S/C41H68O16/c1-18(42)24-11-14-41(49)39(24,6)36(47)31(46)35-38(5)12-10-23(15-22(38)9-13-40(35,41)48)55-27-16-25(43)32(20(3)52-27)56-28-17-26(50-7)33(21(4)53-28)57-37-30(45)34(51-8)29(44)19(2)54-37/h9,18-21,23-37,42-49H,10-17H2,1-8H3/t18?,19-,20+,21+,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1 |
| InChIKey | ZLCOUTDCLMMRAX-YWFWZWCPSA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,2287(1985) |
| Literature Reference DOI | 10.1248/cpb.33.2287 |
| Molecular Weight | 816.981 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1217 |