Glycyrrhetinic acid:Enoxolone 900_400MHz...
Dataset description:
NMR data for glycyrrhetinic acid (Enoxolone) in DMSO-d6. The dataset contains the 1D 1H and 13C, as well as 2D COSY, HSQC, HMBC acquired at 900MHz (Bruker Avance spectrometer, equipped...
Source: Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.hmbc
Chemical Info
| InChI | InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23?,26+,27-,28-,29-,30+/m0/s1 |
|---|---|
| SMILES | CC1(C)[C@@H](O)CC[C@]2(C)C3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]12 |
| InChI Key | MPDGHEJMBKOTSU-QKGDNMKNSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | May 15, 2024 |
| Metadata last updated | May 15, 2024 |
| Created | May 15, 2024 |
| Format | HTML |
| License | CC0 1.0 Legal Code |
| Id | 74e732ad-77fc-42ed-afeb-f7dfaec454c4 |
| Package id | nmrxiv-d1078 |
| Resource type | HTML |
| State | active |