| SpectraBase Compound ID | 8C2uJ7oJWTA |
|---|---|
| InChI | InChI=1S/C79H72O37/c1-30(80)97-50-25-55(101-34(5)84)65-56(26-50)114-72(48-21-60(105-38(9)88)75(110-43(14)93)61(22-48)106-39(10)89)78(112-45(16)95)69(65)67-58(103-36(7)86)29-59(104-37(8)87)68-70(79(113-46(17)96)73(116-77(67)68)49-23-62(107-40(11)90)76(111-44(15)94)63(24-49)108-41(12)91)66-57(102-35(6)85)28-53(99-32(3)82)51-27-64(109-42(13)92)71(115-74(51)66)47-18-19-52(98-31(2)81)54(20-47)100-33(4)83/h18-26,28-29,64,69-73,78-79H,27H2,1-17H3/t64-,69+,70+,71+,72-,73+,78+,79-/m0/s1 |
| InChIKey | OETDFPGFJOQYAR-WEOKULRXSA-N |
| Mol Weight | 1613.4 g/mol |
| Molecular Formula | C79H72O37 |
| Exact Mass | 1612.375244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AujJvLg7RX |
|---|---|
| Name | GALLOCATECHIN-(4-ALPHA->8)-GALLOCATECHIN-(4-ALPHA->8)-CATECHIN-PERACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H72O37 |
| InChI | InChI=1S/C79H72O37/c1-30(80)97-50-25-55(101-34(5)84)65-56(26-50)114-72(48-21-60(105-38(9)88)75(110-43(14)93)61(22-48)106-39(10)89)78(112-45(16)95)69(65)67-58(103-36(7)86)29-59(104-37(8)87)68-70(79(113-46(17)96)73(116-77(67)68)49-23-62(107-40(11)90)76(111-44(15)94)63(24-49)108-41(12)91)66-57(102-35(6)85)28-53(99-32(3)82)51-27-64(109-42(13)92)71(115-74(51)66)47-18-19-52(98-31(2)81)54(20-47)100-33(4)83/h18-26,28-29,64,69-73,78-79H,27H2,1-17H3/t64-,69+,70+,71+,72-,73+,78+,79-/m0/s1 |
| InChIKey | OETDFPGFJOQYAR-WEOKULRXSA-N |
| Literature Reference Author | S.C.SANTOS,P.G.WATERMAN |
| Literature Reference Citation | FITOTERAPIA,72,316(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00298-7 |
| Molecular Weight | 1613.418 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4023 |
| SpectraBase Batch ID | ISMUJBnhbWU |