| SpectraBase Compound ID | Bi82D6gcuhi |
|---|---|
| InChI | InChI=1S/C52H84O23/c1-21(54)28-14-36(59)52(64)50(28,7)35(58)19-34-49(6)11-10-27(13-26(49)9-12-51(34,52)63)70-37-15-29(55)44(22(2)66-37)72-38-16-30(56)45(23(3)67-38)73-39-17-31(57)46(24(4)68-39)74-40-18-32(65-8)47(25(5)69-40)75-48-43(62)42(61)41(60)33(20-53)71-48/h9,22-25,27-48,53,55-64H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52+/m0/s1 |
| InChIKey | BOGUKUWTQRYWBD-XPEJGPTJSA-N |
| Mol Weight | 1077.2 g/mol |
| Molecular Formula | C52H84O23 |
| Exact Mass | 1076.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2AICuV993i |
|---|---|
| Name | 15-BETA-HYDROXYLINEOLON-3-O-BETA-D-[ALLOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRAN |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O23 |
| InChI | InChI=1S/C52H84O23/c1-21(54)28-14-36(59)52(64)50(28,7)35(58)19-34-49(6)11-10-27(13-26(49)9-12-51(34,52)63)70-37-15-29(55)44(22(2)66-37)72-38-16-30(56)45(23(3)67-38)73-39-17-31(57)46(24(4)68-39)74-40-18-32(65-8)47(25(5)69-40)75-48-43(62)42(61)41(60)33(20-53)71-48/h9,22-25,27-48,53,55-64H,10-20H2,1-8H3/t22-,23-,24-,25-,27-,28-,29+,30+,31+,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52+/m0/s1 |
| InChIKey | BOGUKUWTQRYWBD-XPEJGPTJSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 1077.225 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2046 |