compound 3.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -compound 3 date: 2021-02-25T10:29:15.000Z isFt: false name: compound 3/1 phc0: -54.19912 phc1: -56.62946 type: NMR FID DECIM:...
Source: compound 3.1d
Chemical Info
InChI | InChI=1S/C30H50O5/c1-17(2)20(31)15-21(32)18(3)19-9-11-29(8)25(35)30(14-13-27(19,29)6)24(34)16-22-26(4,5)23(33)10-12-28(22,30)7/h17-19,21-24,32-34H,9-16H2,1-8H3/t18-,19?,21-,22?,23-,24-,27+,28-,29-,30-/m0/s1 |
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SMILES | CC(C)C(=O)C[C@H](O)[C@@H](C)C1CC[C@@]2(C)C(=O)[C@]3(CC[C@]12C)[C@@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C |
InChI Key | ZBQKIVAOPCCKBW-CUOJTQAWSA-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 | 42f5e6e5-ea6f-40c7-ad79-6f6c37f20439 |
Package id | nmrxiv-d1970 |
Resource type | HTML |
State | active |