| SpectraBase Compound ID | 9iOXzJjkpif |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,17-31)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | BIYKZVKORGTONM-GPBQKNCGSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4fMWVn5Yjyl |
|---|---|
| Name | 16-Deoxybarringtogenol C |
| CAS Registry Number | 24399-62-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,17-31)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | BIYKZVKORGTONM-GPBQKNCGSA-N |
| Molecular Weight | 474.726 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC=C4[C@@]5([C@@](CO)(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)[C@]([C@@](C(C5)(C)C)(O)[H])(O)[H])[H])[H])C)[H] |
| SPLASH | splash10-0002-0790100000-92bf9f4aecbd60907140 |
| Source of Spectrum | B-30-1318-0 |
| Wiley ID | 1394009 |