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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*)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ubpp8IznaX
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*)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
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 [C@@]12(O[C@]2(CCC(=C)[C@]2([C@](C[C@]1(O)[H])(C(=C[C@]([C@@]2(O)[H])(C=C(C)C)[H])C=O)[H])[H])[H])C