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(1'RS,3'RS,6'SR,7'SR,10'SR,11'RS,12'RS,13'RS)-2-[6'-(3'',4''-methylenedioxyphenyl)tetracyclo[5.4.2.03,13.010,12]trideca-4',8'-dien-11'-yl]acetic acid
SpectraBase Compound ID 9fxetxK6pAa
InChI InChI=1S/C22H22O4/c23-20(24)9-16-15-5-4-14-13(3-1-12-7-17(16)22(15)21(12)14)11-2-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,21-22H,7,9-10H2,(H,23,24)/t12-,13+,14+,15-,16-,17+,21-,22-/m1/s1
InChIKey ABOYVNQPUIGLSV-NZMWGYAISA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RIYPcbQphq
Name (1'RS,3'RS,6'SR,7'SR,10'SR,11'RS,12'RS,13'RS)-2-[6'-(3'',4''-methylenedioxyphenyl)tetracyclo[5.4.2.03,13.010,12]trideca-4',8'-dien-11'-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O4
InChI InChI=1S/C22H22O4/c23-20(24)9-16-15-5-4-14-13(3-1-12-7-17(16)22(15)21(12)14)11-2-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,21-22H,7,9-10H2,(H,23,24)/t12-,13+,14+,15-,16-,17+,21-,22-/m1/s1
InChIKey ABOYVNQPUIGLSV-NZMWGYAISA-N
Molecular Weight 350.414 g/mol
SMILES OC(C[C@]1([C@]2([C@@]3([C@]4([C@@]([C@@](C=C[C@]4([H])C2)(c2cc4c(OCO4)cc2)[H])([H])C=C[C@]13[H])[H])[H])[H])[H])=O
SPLASH splash10-0fi9-3911000000-9f40ca3ba0a3dc208c06
Source of Spectrum B-47-587-0
Synonyms ((1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-5-Benzo[1,3]dioxol-5-yl-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-1-yl)-acetic acid (1'RS,3'RS,6'SR,7'SR,10'SR,11'RS,12'RS,13'RS)-2-[6'-(3'',4''-methylenedioxyphenyl)tetracyclo[5.4.2.03,13.010,12]trideca-4',8'-dien-11'-yl]acetic acid [5-(1,3-benzodioxol-5-yl)-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-1-yl]acetic acid
Wiley ID 1342199