Classics_BetulinicAcid.proton
Dataset description:
This dataset contains NMR spectra obtained for the sample -Classics_BetulinicAcid date: 2005-07-29T07:48:03.000Z isFt: true name: Classics_BetulinicAcid/2 phc0: -74.32902 phc1: -529.6...
Source: Classics_BetulinicAcid.proton
Chemical Info
| InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
|---|---|
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChI Key | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.700 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | 0c9e9ee0-4bf8-47e8-94e9-07e60ef3f96a |
| Package id | nmrxiv-d3044 |
| Resource type | HTML |
| State | active |