| SpectraBase Compound ID | 2iB4u6o1oxd |
|---|---|
| InChI | InChI=1S/C37H48O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h7-8,10-14,22,28-34,37-45H,5-6,9,15-17H2,1-4H3/t22-,28?,29-,30?,31-,32+,33-,34+,37-/m1/s1 |
| InChIKey | NLDGSHLJCGHSMC-ZGPZVNFQSA-N |
| Mol Weight | 748.8 g/mol |
| Molecular Formula | C37H48O16 |
| Exact Mass | 748.294235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BLCyZuvuIU |
|---|---|
| Name | ALANGISESQUIN-C |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48O16 |
| InChI | InChI=1S/C37H48O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h7-8,10-14,22,28-34,37-45H,5-6,9,15-17H2,1-4H3/t22-,28?,29-,30?,31-,32+,33-,34+,37-/m1/s1 |
| InChIKey | NLDGSHLJCGHSMC-ZGPZVNFQSA-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 | 748.779 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1135 |