compound 4.1d
Dataset description:
This dataset contains NMR spectra obtained for the sample -compound 4 date: 2021-02-25T10:36:59.000Z isFt: false name: compound 4/1 phc0: -51.90553 phc1: -62.88863 type: NMR FID DECIM:...
Source: compound 4.1d
Chemical Info
InChI | InChI=1S/C31H52O5/c1-18(2)30(17-36-30)16-21(32)19(3)20-9-11-29(8)25(35)31(14-13-27(20,29)6)24(34)15-22-26(4,5)23(33)10-12-28(22,31)7/h18-24,32-34H,9-17H2,1-8H3/t19-,20?,21-,22?,23-,24-,27+,28-,29-,30?,31-/m0/s1 |
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SMILES | CC(C)C1(C[C@H](O)[C@@H](C)C2CC[C@@]3(C)C(=O)[C@]4(CC[C@]23C)[C@@H](O)CC2C(C)(C)[C@@H](O)CC[C@@]24C)CO1 |
InChI Key | QZIBHZBMQIZEHR-UMLUTLPMSA-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 | 4b9b0c4e-643b-498b-a3b5-3aafb2c41601 |
Package id | nmrxiv-d2000 |
Resource type | HTML |
State | active |