| SpectraBase Compound ID | IHQ5GeKqtGW |
|---|---|
| InChI | InChI=1S/C54H86O23/c1-23(56)31-12-15-54(65)52(31,8)38(71-28(6)57)21-37-51(7)13-11-30(16-29(51)10-14-53(37,54)64)72-39-17-32(58)46(24(2)67-39)74-40-18-33(59)47(25(3)68-40)75-41-19-34(60)48(26(4)69-41)76-42-20-35(66-9)49(27(5)70-42)77-50-45(63)44(62)43(61)36(22-55)73-50/h10,24-27,30-50,55,58-65H,11-22H2,1-9H3/t24-,25-,26-,27-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1 |
| InChIKey | VYZHHNYPPFYGFZ-VAYBEYKUSA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C54H86O23 |
| Exact Mass | 1102.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nI32qQTqIQ |
|---|---|
| Name | 12-O-ACETYLLINEOLON-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPY |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O23 |
| InChI | InChI=1S/C54H86O23/c1-23(56)31-12-15-54(65)52(31,8)38(71-28(6)57)21-37-51(7)13-11-30(16-29(51)10-14-53(37,54)64)72-39-17-32(58)46(24(2)67-39)74-40-18-33(59)47(25(3)68-40)75-41-19-34(60)48(26(4)69-41)76-42-20-35(66-9)49(27(5)70-42)77-50-45(63)44(62)43(61)36(22-55)73-50/h10,24-27,30-50,55,58-65H,11-22H2,1-9H3/t24-,25-,26-,27-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1 |
| InChIKey | VYZHHNYPPFYGFZ-VAYBEYKUSA-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 | 1103.263 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2045 |