| SpectraBase Compound ID | 4Xr512BED1y |
|---|---|
| InChI | InChI=1S/C59H94O23/c1-13-27(2)54(66)78-42-25-41-56(8)17-15-34(20-33(56)14-18-58(41,67)59(68)19-16-35(28(3)61)57(42,59)9)76-44-22-37(69-10)52(30(5)73-44)81-46-23-38(70-11)51(31(6)74-46)80-43-21-36(62)50(29(4)72-43)79-45-24-39(71-12)53(32(7)75-45)82-55-49(65)48(64)47(63)40(26-60)77-55/h13-14,29-32,34-53,55,60,62-65,67-68H,15-26H2,1-12H3/b27-13+/t29-,30+,31-,32-,34-,35+,36+,37-,38+,39-,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52+,53-,55-,56-,57-,58-,59+/m0/s1 |
| InChIKey | RSYZDBACBNGIHG-FDPFWZKBSA-N |
| Mol Weight | 1171.4 g/mol |
| Molecular Formula | C59H94O23 |
| Exact Mass | 1170.618589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3mVLTvLB9S |
|---|---|
| Name | 12-O-TIGLOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRAN |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H94O23 |
| InChI | InChI=1S/C59H94O23/c1-13-27(2)54(66)78-42-25-41-56(8)17-15-34(20-33(56)14-18-58(41,67)59(68)19-16-35(28(3)61)57(42,59)9)76-44-22-37(69-10)52(30(5)73-44)81-46-23-38(70-11)51(31(6)74-46)80-43-21-36(62)50(29(4)72-43)79-45-24-39(71-12)53(32(7)75-45)82-55-49(65)48(64)47(63)40(26-60)77-55/h13-14,29-32,34-53,55,60,62-65,67-68H,15-26H2,1-12H3/b27-13+/t29-,30+,31-,32-,34-,35+,36+,37-,38+,39-,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51-,52+,53-,55-,56-,57-,58-,59+/m0/s1 |
| InChIKey | RSYZDBACBNGIHG-FDPFWZKBSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1171.382 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5033 |