| SpectraBase Compound ID | 7YoToPaGSGc |
|---|---|
| InChI | InChI=1S/C33H56/c1-12-32(10,21-13-14-26(4)15-17-28(6)25(2)3)22-19-27(5)16-18-31(9)33(11)23-20-29(7)30(8)24-33/h12,14,19,22,27-29,31H,1-2,8,13,15-18,20-21,23-24H2,3-7,9-11H3/b22-19+,26-14+/t27?,28?,29-,31?,32?,33-/m0/s1 |
| InChIKey | RGFMLOQLCYOGDW-IPIQMKGQSA-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 | JRI1SWxU4Md |
|---|---|
| Name | Cyclic C33-1 botryococcene |
| Appearance | Colorless liquid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H56 |
| InChI | InChI=1S/C33H56/c1-12-32(10,21-13-14-26(4)15-17-28(6)25(2)3)22-19-27(5)16-18-31(9)33(11)23-20-29(7)30(8)24-33/h12,14,19,22,27-29,31H,1-2,8,13,15-18,20-21,23-24H2,3-7,9-11H3/b22-19+,26-14+/t27?,28?,29-,31?,32?,33-/m0/s1 |
| InChIKey | RGFMLOQLCYOGDW-IPIQMKGQSA-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 | CC(=C)C(CC\C(=C\CCC(\C=C\C(CCC([C@]1(CC[C@@](C(C1)=C)(C)[H])C)C)C)(C=C)C)C)C |
| SPLASH | splash10-05gl-9300000000-362f55e7fa0e1a138afb |
| Source of Spectrum | G4-80-SM11-5 |
| Wiley ID | 1867600 |