Dataset
Betulic acid.aptjmod
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 |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p42.s235.d1351 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1351 |
| Version | |
| Author | Peter Spiteller |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:47:56.948400 |
| MetadataModified | 2024-09-23T09:29:30.124713 |
| MetadataPublished | 2023-12-24 21:57:47 |
| Related Molecule |