| SpectraBase Compound ID | CIJkyHEdAtS |
|---|---|
| InChI | InChI=1S/C56H84O20/c1-27(57)34-18-20-56(62)53(34,7)39(72-50(60)32-15-13-12-14-16-32)24-38-52(6)19-17-33(25-55(52)40(76-55)26-54(38,56)61)71-41-21-35(63-8)46(29(3)67-41)73-42-22-36(64-9)47(30(4)68-42)74-43-23-37(65-10)48(31(5)69-43)75-51-45(59)49(66-11)44(58)28(2)70-51/h12-16,28-31,33-49,51,58-59,61-62H,17-26H2,1-11H3/t28?,29?,30?,31?,33-,34-,35-,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | BSJZKLFQEFWIBW-NQLCFHJTSA-N |
| Mol Weight | 1077.3 g/mol |
| Molecular Formula | C56H84O20 |
| Exact Mass | 1076.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIVYXGw9YLN |
|---|---|
| Name | #23;12-O-BENZOYL-5-ALPHA,6-ALPHA-EPOXYLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O20 |
| InChI | InChI=1S/C56H84O20/c1-27(57)34-18-20-56(62)53(34,7)39(72-50(60)32-15-13-12-14-16-32)24-38-52(6)19-17-33(25-55(52)40(76-55)26-54(38,56)61)71-41-21-35(63-8)46(29(3)67-41)73-42-22-36(64-9)47(30(4)68-42)74-43-23-37(65-10)48(31(5)69-43)75-51-45(59)49(66-11)44(58)28(2)70-51/h12-16,28-31,33-49,51,58-59,61-62H,17-26H2,1-11H3/t28?,29?,30?,31?,33-,34-,35-,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-,46+,47-,48+,49+,51+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | BSJZKLFQEFWIBW-NQLCFHJTSA-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 | 1077.271 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20279 |