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2H-Benzo[5,6]cyclonon[1,2-b]oxirene-4-carboxaldehyde, 1a,3,3a,6,7,7a,8,9,10,10a-decahydro-2,7-dihydroxy-1a-methyl-8-methyle ne-6-(2-methyl-1-propenyl)-, [1aS-(1aR*,2S*,3aR*,6S*,7R*,7aS*,10aS*)]-
SpectraBase Compound ID 49oQwopIDgv
InChI InChI=1S/C20H28O4/c1-11(2)7-13-8-14(10-21)15-9-16(22)20(4)17(24-20)6-5-12(3)18(15)19(13)23/h7-8,10,13,15-19,22-23H,3,5-6,9H2,1-2,4H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey KUFLXPAGKWSOFL-KVAAXBNISA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6idOiLLTsd
Name 2H-Benzo[5,6]cyclonon[1,2-b]oxirene-4-carboxaldehyde, 1a,3,3a,6,7,7a,8,9,10,10a-decahydro-2,7-dihydroxy-1a-methyl-8-methyle ne-6-(2-methyl-1-propenyl)-, [1aS-(1aR*,2S*,3aR*,6S*,7R*,7aS*,10aS*)]-
CAS Registry Number 85228-00-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-11(2)7-13-8-14(10-21)15-9-16(22)20(4)17(24-20)6-5-12(3)18(15)19(13)23/h7-8,10,13,15-19,22-23H,3,5-6,9H2,1-2,4H3/t13-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey KUFLXPAGKWSOFL-KVAAXBNISA-N
Molecular Weight 332.440 g/mol
SMILES O[C@@]1(C[C@@]2(C(=C[C@]([C@@]([C@]2(C(CC[C@@]2(O[C@@]12C)[H])=C)[H])(O)[H])(C=C(C)C)[H])C=O)[H])[H]
SPLASH splash10-0536-9301000000-5120821dc78d7f99d028
Source of Spectrum B-36-177-0
Synonyms (1aS,2R,3aS,6R,7S,7aR,10aS)-2,7-dihydroxy-1a-methyl-8-methylene-6-(2-methyl-1-propenyl)-2,3,3a,6,7,7a,8,9,10,10a-decahydro-1aH-benzo[5,6]cyclonona[1,2-b]oxirene-4-carbaldehyde (1R*,5S*,6S*,7R*,9S*,10E,12R*,13S*)-5,6-epoxy-7,13-dihydroxy-2-methylene-12-(2-methylprop-1-enyl)-6-methylbicyclo[7,4,0]tridec-10-ene-10-carbaldehyde
Wiley ID 1329600