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(3R,4aS,8R,9aR,9bR)-2-methyl-3-[(E)-non-1-enyl]-8-oxidanyl-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
SpectraBase Compound ID 4aGy7noAiYs
InChI InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,21+,22-/m0/s1
InChIKey ONCGMAFAIBLDNP-JPFIIEMTSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZmmYBP9mWJ
Name (3R,4aS,8R,9aR,9bR)-2-methyl-3-[(E)-non-1-enyl]-8-oxidanyl-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
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Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,21+,22-/m0/s1
InChIKey ONCGMAFAIBLDNP-JPFIIEMTSA-N
Molecular Weight 344.495 g/mol
SMILES O[C@@]1(C[C@]2(C(=CC([C@@]3([C@@]2(C=C([C@@](\C=C\CCCCCCC)(O3)[H])C)[H])[H])=O)C1)[H])[H]
SPLASH splash10-0002-0394000000-7390c2bf2b2bfc288ea1
Source of Spectrum F-55-14365-5
Synonyms (3R,4aS,8R,9aR,9bR)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one (3R,4aS,8R,9aR,9bR)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f][1]benzopyran-5-one
Wiley ID 840015