SpectraBase Compound ID | 4ooO0TnqTih |
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InChI | InChI=1S/C50H46O22/c1-21(51)61-33-17-40(67-27(7)57)44-41(18-33)71-48(32-12-14-36(63-23(3)53)39(16-32)66-26(6)56)50(70-30(10)60)46(44)45-42(68-28(8)58)20-37(64-24(4)54)34-19-43(69-29(9)59)47(72-49(34)45)31-11-13-35(62-22(2)52)38(15-31)65-25(5)55/h11-18,20,43,46-48,50H,19H2,1-10H3/t43-,46+,47+,48-,50+/m1/s1 |
InChIKey | XVPHXHFVALQSOB-UOTDEOPJSA-N |
Mol Weight | 998.9 g/mol |
Molecular Formula | C50H46O22 |
Exact Mass | 998.248073 g/mol |
SpectraBase Spectrum ID | 7gqJrNJgorZ |
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Name | PROCYANIDIN-1B |
Compound Number | 1B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C50H46O22 |
InChI | InChI=1S/C50H46O22/c1-21(51)61-33-17-40(67-27(7)57)44-41(18-33)71-48(32-12-14-36(63-23(3)53)39(16-32)66-26(6)56)50(70-30(10)60)46(44)45-42(68-28(8)58)20-37(64-24(4)54)34-19-43(69-29(9)59)47(72-49(34)45)31-11-13-35(62-22(2)52)38(15-31)65-25(5)55/h11-18,20,43,46-48,50H,19H2,1-10H3/t43-,46+,47+,48-,50+/m1/s1 |
InChIKey | XVPHXHFVALQSOB-UOTDEOPJSA-N |
Literature Reference Author | L.BALAS,J.VERCAUTEREN |
Literature Reference Citation | MAGN.RES.CHEM.,32,386(1994) |
Literature Reference DOI | 10.1002/mrc.1260320703 |
Molecular Weight | 998.902 g/mol |
Solvent | CDCl3 |
Source File Reference | UWCP2204 |