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(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative

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(E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative
SpectraBase Compound ID EDHBiG3tKRu
InChI InChI=1S/C22H34O4/c1-15-8-11-18-21(2,3)12-7-13-22(18,4)17(15)10-9-16(14-25-5)19(23)20(24)26-6/h9,17-18H,1,7-8,10-14H2,2-6H3/b16-9+/t17-,18?,22+/m0/s1
InChIKey DEXSEUNHJJXWDD-JDKDPVNKSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfpHSckJj4k
Name (E)-5-[(1S,8as)-5,5,8A-Trimethyl-2-methylidene-3,4,4A,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid, 2me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-15-8-11-18-21(2,3)12-7-13-22(18,4)17(15)10-9-16(14-25-5)19(23)20(24)26-6/h9,17-18H,1,7-8,10-14H2,2-6H3/b16-9+/t17-,18?,22+/m0/s1
InChIKey DEXSEUNHJJXWDD-JDKDPVNKSA-N
Molecular Weight 362.510 g/mol
SMILES C1CC(C2CCC([C@@]([C@]2(C1)C)(C\C=C\(C(C(OC)=O)=O)COC)[H])=C)(C)C