SpectraBase Compound ID | 8bPwxJYSBUY |
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InChI | InChI=1S/C34H56O5/c1-9-10-19-38-29-21(20-25(39-29)28(36)31(4,5)37)22-13-17-34(8)24-11-12-26-30(2,3)27(35)15-16-32(26,6)23(24)14-18-33(22,34)7/h11,21-23,25-26,28-29,36-37H,9-10,12-20H2,1-8H3/t21-,22-,23-,25+,26-,28-,29+,32+,33-,34+/m0/s1 |
InChIKey | RKDFOKYMJHCECU-XWDMCOEDSA-N |
Mol Weight | 544.8 g/mol |
Molecular Formula | C34H56O5 |
Exact Mass | 544.412775 g/mol |
SpectraBase Spectrum ID | Aaq4pU6fwAJ |
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Name | Senegalene B |
Appearance | White amorphous powder |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C34H56O5 |
InChI | InChI=1S/C34H56O5/c1-9-10-19-38-29-21(20-25(39-29)28(36)31(4,5)37)22-13-17-34(8)24-11-12-26-30(2,3)27(35)15-16-32(26,6)23(24)14-18-33(22,34)7/h11,21-23,25-26,28-29,36-37H,9-10,12-20H2,1-8H3/t21-,22-,23-,25+,26-,28-,29+,32+,33-,34+/m0/s1 |
InChIKey | RKDFOKYMJHCECU-XWDMCOEDSA-N |
Instrument Name | Finnigan MAT 95 |
Ionization Type | EI positive ion |
Literature Reference DOI | 10.1021/np1000158 |
Molecular Weight | 544.817 g/mol |
Optical Rotation | [a]D20 = -155 (c = 0.100, CHCl3) |
Reported Formula | C34H56O5 |
SMILES | O[C@](C(C)(C)O)([C@@]1(O[C@]([C@]([C@]2([C@@]3(CC[C@@]4([C@]5(CCC(C([C@@]5(CC=C4[C@]3(CC2)C)[H])(C)C)=O)C)[H])C)[H])(C1)[H])(OCCCC)[H])[H])[H] |
SPLASH | splash10-0a4i-4847900000-978988ab0cfd8f9fe418 |
Source of Spectrum | G4-73-SM37-9 |
Wiley ID | 1848946 |