Dataset
(-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data.hmbc
Chemical Info
InChI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 |
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SMILES | O=C(O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 |
InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
Molecular Formula | C22H18O11 |
Exact Mass | 458.400 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p33.s206.d1048 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1048 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:58:03.626235 |
MetadataModified | 2024-09-23T09:36:42.764880 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
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