| SpectraBase Compound ID | 1P2AzNKhsiK |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-12-10-22-11-14(12)15(27-13(2)23)8-17(22)20(3)6-5-7-21(4,19(25)26)16(20)9-18(22)24/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)/t14-,15+,16+,17+,18-,20-,21-,22+/m1/s1 |
| InChIKey | AHVWHMRWTAXJKA-QNOXAFRZSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8XfFLykYun8 |
|---|---|
| Name | ent-12.beta.-Acetoxy-7.beta.-hydroxykaur-16-en-19-oic acid |
| Appearance | Colorless fine needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-12-10-22-11-14(12)15(27-13(2)23)8-17(22)20(3)6-5-7-21(4,19(25)26)16(20)9-18(22)24/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)/t14-,15+,16+,17+,18-,20-,21-,22+/m1/s1 |
| InChIKey | AHVWHMRWTAXJKA-QNOXAFRZSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np030490j |
| Molecular Weight | 376.493 g/mol |
| Optical Rotation | [a]D20 = -52.1 (c = 0.313, MeOH) |
| SMILES | OC([C@]1([C@]2(C[C@]([C@@]34CC([C@]([C@](C[C@]4([C@@]2(CCC1)C)[H])(OC(=O)C)[H])(C3)[H])=C)(O)[H])[H])C)=O |
| SPLASH | splash10-07i2-0941000000-3a9220e242688488e94f |
| Source of Spectrum | G4-67-618-4 |
| Wiley ID | 1881747 |