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(1S,2Z,6S,7S,9Z,11S,13R,14R,16S,17S)-2,6,10,13-tetramethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,9-dien-14-ol

View entire compound with spectra: 1 MS (GC)

(1S,2Z,6S,7S,9Z,11S,13R,14R,16S,17S)-2,6,10,13-tetramethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,9-dien-14-ol
SpectraBase Compound ID 10tm4d7POib
InChI InChI=1S/C25H40O/c1-14(2)20-12-24(26)25(6)13-22-16(4)7-9-18-15(3)8-10-19(18)17(5)21(22)11-23(20)25/h7,14-15,18,20-24,26H,8-13H2,1-6H3/b16-7-,19-17-/t15-,18-,20-,21+,22+,23-,24+,25+/m0/s1
InChIKey VLQORWPJGPRTHT-PXVBQLCDSA-N
Mol Weight 356.6 g/mol
Molecular Formula C25H40O
Exact Mass 356.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c03NX5xLs
Name (1S,2Z,6S,7S,9Z,11S,13R,14R,16S,17S)-2,6,10,13-tetramethyl-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadeca-2,9-dien-14-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O
InChI InChI=1S/C25H40O/c1-14(2)20-12-24(26)25(6)13-22-16(4)7-9-18-15(3)8-10-19(18)17(5)21(22)11-23(20)25/h7,14-15,18,20-24,26H,8-13H2,1-6H3/b16-7-,19-17-/t15-,18-,20-,21+,22+,23-,24+,25+/m0/s1
InChIKey VLQORWPJGPRTHT-PXVBQLCDSA-N
Instrument Name Varian 450
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.0c03996
Molecular Weight 356.594 g/mol
SMILES O[C@@]1(C[C@]([C@@]2(C[C@@]3(\C(=C/4[C@@](C\C=C/([C@]3(C[C@@]12C)[H])C)([C@@](C)(CC4)[H])[H])C)[H])[H])(C(C)C)[H])[H]
SPLASH splash10-001r-3920000000-0da4e2050b378873e6ab
Source of Spectrum A1-23-SM11-6
Wiley ID 1865964