| SpectraBase Compound ID | DOGpp9Ysshz |
|---|---|
| InChI | InChI=1S/C55H83NO20/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(24-37(47)66-10)75-46-29(3)69-41(23-36(46)65-9)74-45-28(2)68-40(22-35(45)64-8)72-34-15-16-51(6)33(21-34)14-17-54(62)38(51)25-39(73-49(60)32-13-12-20-56-26-32)52(7)53(61,31(5)57)18-19-55(52,54)63/h12-14,20,26-30,34-48,50,58-59,61-63H,15-19,21-25H2,1-11H3/t27?,28?,29?,30?,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51-,52+,53+,54-,55+/m0/s1 |
| InChIKey | JCQJHINDNGQIKA-QXQCOCGGSA-N |
| Mol Weight | 1078.3 g/mol |
| Molecular Formula | C55H83NO20 |
| Exact Mass | 1077.550844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkHf2wpRzmx |
|---|---|
| Name | ROSTRATAMINE-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H83NO20 |
| InChI | InChI=1S/C55H83NO20/c1-27-43(58)48(67-11)44(59)50(71-27)76-47-30(4)70-42(24-37(47)66-10)75-46-29(3)69-41(23-36(46)65-9)74-45-28(2)68-40(22-35(45)64-8)72-34-15-16-51(6)33(21-34)14-17-54(62)38(51)25-39(73-49(60)32-13-12-20-56-26-32)52(7)53(61,31(5)57)18-19-55(52,54)63/h12-14,20,26-30,34-48,50,58-59,61-63H,15-19,21-25H2,1-11H3/t27?,28?,29?,30?,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51-,52+,53+,54-,55+/m0/s1 |
| InChIKey | JCQJHINDNGQIKA-QXQCOCGGSA-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 | 1078.259 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20264 |