| SpectraBase Compound ID | IazgPF6Yyg2 |
|---|---|
| InChI | InChI=1S/C55H86O23/c1-25-47(34(58)17-40(69-25)73-30-8-13-53(24-57)32-9-12-52(5)31(29-16-39(60)68-23-29)11-15-55(52,65)33(32)10-14-54(53,64)21-30)75-41-18-35(59)48(26(2)70-41)76-42-19-36(66-6)49(27(3)71-42)77-43-20-37(67-7)50(28(4)72-43)78-51-46(63)45(62)44(61)38(22-56)74-51/h16,24-28,30-38,40-51,56,58-59,61-65H,8-15,17-23H2,1-7H3/t25-,26+,27+,28+,30+,31-,32+,33-,34+,35-,36+,37+,38-,40+,41-,42-,43-,44-,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+/m1/s1 |
| InChIKey | YUTSTPQOYGZSEU-ZJQFSGEGSA-N |
| Mol Weight | 1115.3 g/mol |
| Molecular Formula | C55H86O23 |
| Exact Mass | 1114.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwP8vQ5gKGZ |
|---|---|
| Name | ALEPPOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O23 |
| InChI | InChI=1S/C55H86O23/c1-25-47(34(58)17-40(69-25)73-30-8-13-53(24-57)32-9-12-52(5)31(29-16-39(60)68-23-29)11-15-55(52,65)33(32)10-14-54(53,64)21-30)75-41-18-35(59)48(26(2)70-41)76-42-19-36(66-6)49(27(3)71-42)77-43-20-37(67-7)50(28(4)72-43)78-51-46(63)45(62)44(61)38(22-56)74-51/h16,24-28,30-38,40-51,56,58-59,61-65H,8-15,17-23H2,1-7H3/t25-,26+,27+,28+,30+,31-,32+,33-,34+,35-,36+,37+,38-,40+,41-,42-,43-,44-,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+/m1/s1 |
| InChIKey | YUTSTPQOYGZSEU-ZJQFSGEGSA-N |
| Literature Reference Author | G.F.PAULI,P.JUNIOR,S.BERGER,U.MATTHIESEN |
| Literature Reference Citation | J.NAT.PROD.,56,67(1993) |
| Literature Reference DOI | 10.1021/np50091a010 |
| Molecular Weight | 1115.274 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS936 |