| SpectraBase Compound ID | FYtq4Bej3ad |
|---|---|
| InChI | InChI=1S/C33H56/c1-13-33(12,23-21-28(7)27(6)16-15-26(5)24(2)3)22-20-25(4)14-19-31-29(8)17-18-30(9)32(31,10)11/h13,16,20,22,25-26,28,30-31H,1-2,8,14-15,17-19,21,23H2,3-7,9-12H3/b22-20+,27-16+/t25?,26?,28?,30-,31-,33?/m0/s1 |
| InChIKey | VFUMRJMEBQUNGU-RJDFTUSSSA-N |
| Mol Weight | 452.8 g/mol |
| Molecular Formula | C33H56 |
| Exact Mass | 452.438202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BuTFMl7Okf6 |
|---|---|
| Name | Cyclic C33-2 botryococcene |
| Appearance | Colorless liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H56 |
| InChI | InChI=1S/C33H56/c1-13-33(12,23-21-28(7)27(6)16-15-26(5)24(2)3)22-20-25(4)14-19-31-29(8)17-18-30(9)32(31,10)11/h13,16,20,22,25-26,28,30-31H,1-2,8,14-15,17-19,21,23H2,3-7,9-12H3/b22-20+,27-16+/t25?,26?,28?,30-,31-,33?/m0/s1 |
| InChIKey | VFUMRJMEBQUNGU-RJDFTUSSSA-N |
| Instrument Name | Bruker 436-GC-SCION SQ |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jnatprod.6b00934 |
| Molecular Weight | 452.811 g/mol |
| Reported Formula | C33H56 |
| SMILES | C1CC([C@@](C([C@]1(C)[H])(C)C)(CCC(\C=C\C(CCC(\C(=C\CC(C(C)=C)C)C)C)(C=C)C)C)[H])=C |
| SPLASH | splash10-0ac1-9600000000-ebf375008c8a9d705d09 |
| Source of Spectrum | G4-80-SM11-6 |
| Wiley ID | 1867601 |