compound 1.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -compound 1 date: 2021-09-09T12:58:16.000Z isFt: false name: compound 1/1 phc0: -88.46197 phc1: -14.18055 type: NMR FID DECIM:...
Source: compound 1.1d
Chemical Info
InChI | InChI=1S/C31H52O4/c1-18(2)19(3)16-22(32)20(4)21-10-12-30(9)26(35)31(15-14-28(21,30)7)25(34)17-23-27(5,6)24(33)11-13-29(23,31)8/h18,20-25,32-34H,3,10-17H2,1-2,4-9H3/t20-,21?,22-,23?,24-,25+,28+,29-,30-,31?/m0/s1 |
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SMILES | C=C(C[C@H](O)[C@@H](C)C1CC[C@@]2(C)C(=O)C3(CC[C@]12C)[C@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C)C(C)C |
InChI Key | KLMGBOUPTMNAOY-AOGMVXSVSA-N |
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Additional Information
Field | Value |
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Data last updated | May 15, 2024 |
Metadata last updated | May 15, 2024 |
Created | May 15, 2024 |
Format | HTML |
License | No License Provided |
Id | 4dfced9b-af18-4890-b8c3-783ef1d58711 |
Package id | nmrxiv-d2006 |
Resource type | HTML |
State | active |