| SpectraBase Compound ID | 7GOOZCnbQp3 |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-12-15(22)16(23)17-19(2,3)8-6-9-20(17,4)21(12,25)10-7-13-11-14(26-5)27-18(13)24/h11-12,14,16-17,23,25H,6-10H2,1-5H3/t12-,14?,16-,17+,20+,21-/m1/s1 |
| InChIKey | UEHATVMLPFUSJH-GSWHXBPJSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FAcpgHxDkbX |
|---|---|
| Name | Sibiricinone C |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-12-15(22)16(23)17-19(2,3)8-6-9-20(17,4)21(12,25)10-7-13-11-14(26-5)27-18(13)24/h11-12,14,16-17,23,25H,6-10H2,1-5H3/t12-,14?,16-,17+,20+,21-/m1/s1 |
| InChIKey | UEHATVMLPFUSJH-GSWHXBPJSA-N |
| Instrument Name | Micromass 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030480i |
| Molecular Weight | 380.481 g/mol |
| Optical Rotation | [a]D20 = +4.7 (c = 1.58, CHCl3) |
| Reported Formula | C21H32O6 |
| SMILES | O[C@@]1([C@@](C([C@]([C@]2(C(CCC[C@]12C)(C)C)[H])(O)[H])=O)(C)[H])CCC=1C(OC(C1)OC)=O |
| SPLASH | splash10-0apj-9411000000-fd1477cc86df2d1b3f2c |
| Source of Spectrum | G4-67-716-3 |
| Wiley ID | 1881734 |