Dataset
Ginsenoside Rg1 600 MHz in CD3OD NMR data.1d
Chemical Info
InChI | InChI=1S/C42H72O15/c1-20(2)10-9-15-53-42(8,57-37-34(52)32(50)30(48)25(19-44)56-37)21-11-14-40(6)28(21)22(45)16-26-39(5)13-12-27(46)38(3,4)35(39)23(17-41(26,40)7)54-36-33(51)31(49)29(47)24(18-43)55-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 |
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SMILES | CC(C)=CCCO[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C |
InChI Key | OQRGKZFCNVNNHS-HHNZYBFYSA-N |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p33.s208.d1065 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1065 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:59:02.080364 |
MetadataModified | 2024-09-23T09:36:47.509844 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
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