| SpectraBase Compound ID | 9sQgtzWf8jS |
|---|---|
| InChI | InChI=1S/C56H84O21/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(23-36(47)66-10)75-46-29(3)69-41(22-35(46)65-9)74-45-28(2)68-40(21-34(45)64-8)72-33-17-18-51(6)37-24-38(73-49(60)32-15-13-12-14-16-32)52(7)53(61,31(5)57)19-20-56(52,63)54(37,62)26-39-55(51,25-33)77-39/h12-16,27-30,33-48,50,58-59,61-63H,17-26H2,1-11H3/t27?,28?,29?,30?,33-,34-,35+,36-,37+,38+,39-,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53+,54-,55-,56+/m0/s1 |
| InChIKey | NOZMKFSCTJXXLK-MUIBTHBSSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C56H84O21 |
| Exact Mass | 1092.55051 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 | EV3DKWPsfpW |
|---|---|
| Name | #22;12-O-BENZOYL-5-ALPHA,6-ALPHA-EPOXYDEACYLMETAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O21 |
| InChI | InChI=1S/C56H84O21/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(23-36(47)66-10)75-46-29(3)69-41(22-35(46)65-9)74-45-28(2)68-40(21-34(45)64-8)72-33-17-18-51(6)37-24-38(73-49(60)32-15-13-12-14-16-32)52(7)53(61,31(5)57)19-20-56(52,63)54(37,62)26-39-55(51,25-33)77-39/h12-16,27-30,33-48,50,58-59,61-63H,17-26H2,1-11H3/t27?,28?,29?,30?,33-,34-,35+,36-,37+,38+,39-,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53+,54-,55-,56+/m0/s1 |
| InChIKey | NOZMKFSCTJXXLK-MUIBTHBSSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1093.270 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20278 |