| SpectraBase Compound ID | 9X9HTXI69Qg |
|---|---|
| InChI | InChI=1S/C37H42O22/c1-11(2)3-14(38)23-20(58-37-33(52)31(50)28(47)22(59-37)10-56-36(54)13-6-18(42)26(45)19(43)7-13)8-15(39)24(29(23)48)34-32(51)30(49)27(46)21(57-34)9-55-35(53)12-4-16(40)25(44)17(41)5-12/h4-8,11,21-22,27-28,30-34,37,39-52H,3,9-10H2,1-2H3/t21-,22-,27-,28-,30+,31+,32-,33-,34+,37-/m0/s1 |
| InChIKey | KPRWNUGKIZEMGJ-KAYZQUJJSA-N |
| Mol Weight | 838.7 g/mol |
| Molecular Formula | C37H42O22 |
| Exact Mass | 838.216773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TZ9FFEA7Is |
|---|---|
| Name | KUNZEAPHLOGIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O22 |
| InChI | InChI=1S/C37H42O22/c1-11(2)3-14(38)23-20(58-37-33(52)31(50)28(47)22(59-37)10-56-36(54)13-6-18(42)26(45)19(43)7-13)8-15(39)24(29(23)48)34-32(51)30(49)27(46)21(57-34)9-55-35(53)12-4-16(40)25(44)17(41)5-12/h4-8,11,21-22,27-28,30-34,37,39-52H,3,9-10H2,1-2H3/t21-,22-,27-,28-,30+,31+,32-,33-,34+,37-/m0/s1 |
| InChIKey | KPRWNUGKIZEMGJ-KAYZQUJJSA-N |
| Literature Reference Author | N.KASAJIMA,H.ITO,T.HATANO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,69,3080(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.003 |
| Molecular Weight | 838.727 g/mol |
| Sample ID | 63857 |
| Solvent | ACETONE-D6:D2O |