| SpectraBase Compound ID | BAIekGcOZ1d |
|---|---|
| InChI | InChI=1S/C27H42O12/c1-11-5-6-14(15-7-12(2)25(35-4)21(31)18(11)15)13(3)8-36-27-24(34)22(32)20(30)17(39-27)10-38-26-23(33)19(29)16(28)9-37-26/h7,11,13-14,16-17,19-20,22-24,26-34H,5-6,8-10H2,1-4H3/t11?,13?,14?,16-,17-,19+,20-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | SGTULVUZPPHXQU-AVDLMDMWSA-N |
| Mol Weight | 558.6 g/mol |
| Molecular Formula | C27H42O12 |
| Exact Mass | 558.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQEkgNa7mTG |
|---|---|
| Name | ALANGICADINOSIDE-I |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O12 |
| InChI | InChI=1S/C27H42O12/c1-11-5-6-14(15-7-12(2)25(35-4)21(31)18(11)15)13(3)8-36-27-24(34)22(32)20(30)17(39-27)10-38-26-23(33)19(29)16(28)9-37-26/h7,11,13-14,16-17,19-20,22-24,26-34H,5-6,8-10H2,1-4H3/t11?,13?,14?,16-,17-,19+,20-,22+,23-,24-,26+,27-/m1/s1 |
| InChIKey | SGTULVUZPPHXQU-AVDLMDMWSA-N |
| Literature Reference Author | K.KIJIMA,H.OTSUKA,T.IDE,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,48,669(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00076-4 |
| Molecular Weight | 558.623 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1132 |