| SpectraBase Compound ID | KmwrxnCVQD8 |
|---|---|
| InChI | InChI=1S/C48H42O21/c1-20(49)58-31-16-38(64-26(7)55)42-39(17-31)68-48(30-11-13-34(60-22(3)51)37(15-30)63-25(6)54)47(66-28(9)57)44(42)43-40(69-48)19-35(61-23(4)52)32-18-41(65-27(8)56)45(67-46(32)43)29-10-12-33(59-21(2)50)36(14-29)62-24(5)53/h10-17,19,41,44-45,47H,18H2,1-9H3/t41-,44+,45+,47+,48-/m1/s1 |
| InChIKey | APCARIIVWROBOB-MIERAXMTSA-N |
| Mol Weight | 954.8 g/mol |
| Molecular Formula | C48H42O21 |
| Exact Mass | 954.221858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCQmoeK7sSu |
|---|---|
| Name | PROANTHOCYANIDIN-ACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H42O21 |
| InChI | InChI=1S/C48H42O21/c1-20(49)58-31-16-38(64-26(7)55)42-39(17-31)68-48(30-11-13-34(60-22(3)51)37(15-30)63-25(6)54)47(66-28(9)57)44(42)43-40(69-48)19-35(61-23(4)52)32-18-41(65-27(8)56)45(67-46(32)43)29-10-12-33(59-21(2)50)36(14-29)62-24(5)53/h10-17,19,41,44-45,47H,18H2,1-9H3/t41-,44+,45+,47+,48-/m1/s1 |
| InChIKey | APCARIIVWROBOB-MIERAXMTSA-N |
| Literature Reference Author | F.W.L.ARAUJO,T.L.G.LEMOS,J.S.L.T.MILITAO,R.BRAZ-FILHO |
| Literature Reference Citation | QUIM.NOVA,17,128(1994) |
| Molecular Weight | 954.849 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12515 |