| SpectraBase Compound ID | LpLrORTRn4q |
|---|---|
| InChI | InChI=1S/C44H42O22/c1-12-27(50)18(40-26(28(12)51)33(56)42(39(64-40)16-5-7-20(46)23(49)9-16)66-44-37(60)35(58)30(53)14(3)62-44)10-17-21(47)11-24-25(31(17)54)32(55)41(38(63-24)15-4-6-19(45)22(48)8-15)65-43-36(59)34(57)29(52)13(2)61-43/h4-9,11,13-14,29-30,34-37,43-54,57-60H,10H2,1-3H3/t13-,14-,29-,30-,34+,35+,36+,37+,43-,44-/m1/s1 |
| InChIKey | HUYKTZUAFRSJII-IZJZAFEHSA-N |
| Mol Weight | 922.8 g/mol |
| Molecular Formula | C44H42O22 |
| Exact Mass | 922.216773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BQrKt9UgUy |
|---|---|
| Name | KUNZEAGIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H42O22 |
| InChI | InChI=1S/C44H42O22/c1-12-27(50)18(40-26(28(12)51)33(56)42(39(64-40)16-5-7-20(46)23(49)9-16)66-44-37(60)35(58)30(53)14(3)62-44)10-17-21(47)11-24-25(31(17)54)32(55)41(38(63-24)15-4-6-19(45)22(48)8-15)65-43-36(59)34(57)29(52)13(2)61-43/h4-9,11,13-14,29-30,34-37,43-54,57-60H,10H2,1-3H3/t13-,14-,29-,30-,34+,35+,36+,37+,43-,44-/m1/s1 |
| InChIKey | HUYKTZUAFRSJII-IZJZAFEHSA-N |
| Literature Reference Author | H.ITO,N.KASAJIMA,H.TOKUDA,H.NISHINO,T.YOSHIDA |
| Literature Reference Citation | J.NAT.PROD.,67,411(2004) |
| Literature Reference DOI | 10.1021/np030367s |
| Molecular Weight | 922.804 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP4205 |