Dataset
Ursolic Acid 400MHz DMSOd6 NMR data.1d
Chemical Info
InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24?,27+,28-,29-,30+/m1/s1 |
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SMILES | C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CCC4[C@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]43C)C2[C@@H]1C |
InChI Key | WCGUUGGRBIKTOS-POPPTPIPSA-N |
Molecular Formula | C30H48O3 |
Exact Mass | 456.700 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p33.s205.d1036 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1036 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:57:40.281099 |
MetadataModified | 2024-09-23T09:36:42.242838 |
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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