| SpectraBase Compound ID | 5nh6vR2GiCJ |
|---|---|
| InChI | InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37+,38-/m1/s1 |
| InChIKey | KXWUWMDLMCSXOX-FJYBLAALSA-N |
| Mol Weight | 862.7 g/mol |
| Molecular Formula | C38H38O23 |
| Exact Mass | 862.180387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3H4xBzmE3F9 |
|---|---|
| Name | HAMAMELITANNIN-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H38O23 |
| InChI | InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37+,38-/m1/s1 |
| InChIKey | KXWUWMDLMCSXOX-FJYBLAALSA-N |
| Literature Reference Author | C.HABERLAND,H.KOLODZIEJ |
| Literature Reference Citation | PLANTA.MED.,60,464(1994) |
| Literature Reference DOI | 10.1055/s-2006-959533 |
| Molecular Weight | 862.706 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP589 |