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15-(Carbomethoxymethylen)-ent-isocopal-12-ene
SpectraBase Compound ID CbFZ9A8qglh
InChI InChI=1S/C23H36O2/c1-16-8-10-19-22(4,17(16)9-11-20(24)25-6)15-12-18-21(2,3)13-7-14-23(18,19)5/h8-9,11,17-19H,7,10,12-15H2,1-6H3/b11-9+/t17-,18+,19+,22+,23+/m1/s1
InChIKey QUXCIWOTUASNIL-NBPJPYDCSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1SbGHaMFXh
Name (E)-3-[(1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-propenoic acid methyl ester
CAS Registry Number 87953-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-16-8-10-19-22(4,17(16)9-11-20(24)25-6)15-12-18-21(2,3)13-7-14-23(18,19)5/h8-9,11,17-19H,7,10,12-15H2,1-6H3/b11-9+/t17-,18+,19+,22+,23+/m1/s1
InChIKey QUXCIWOTUASNIL-NBPJPYDCSA-N
Molecular Weight 344.539 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC=C([C@]1(\C=C\C(=O)OC)[H])C)[H])C
SPLASH splash10-002f-0901000000-c73d0b8616592aafe9d3
Source of Spectrum J-49-332-0
Synonyms (E)-3-[(1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]acrylic acid methyl ester Methyl (E)-3-[(1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]prop-2-enoate
Wiley ID 1338349