| SpectraBase Compound ID | 34EQdA2V4Mo |
|---|---|
| InChI | InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2/t29-,32?,38-,41-,42?/m1/s1 |
| InChIKey | OLBCNYLXXLYHAI-NOBHLFKHSA-N |
| Mol Weight | 912.7 g/mol |
| Molecular Formula | C44H32O22 |
| Exact Mass | 912.138523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ix3CmnJ1Q4z |
|---|---|
| Name | SAMARANGENIN_B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H32O22 |
| InChI | InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2/t29-,32?,38-,41-,42?/m1/s1 |
| InChIKey | OLBCNYLXXLYHAI-NOBHLFKHSA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | PLANTA.MED.,66,333(2000) |
| Literature Reference DOI | 10.1055/s-2000-8540 |
| Molecular Weight | 912.725 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1403 |