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(4R,6ar,9S,11Bs)-4-(methoxymethyl)-4,9,11B-trimethyl-1,2,3,4,4A,5,6,9,10,11,11A,11B-dodecahydro-6A,9-methanocyclohepta[A]naphthalene

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(4R,6ar,9S,11Bs)-4-(methoxymethyl)-4,9,11B-trimethyl-1,2,3,4,4A,5,6,9,10,11,11A,11B-dodecahydro-6A,9-methanocyclohepta[A]naphthalene
SpectraBase Compound ID LP5JqTTpYXT
InChI InChI=1S/C21H34O/c1-18-10-6-17-20(3)9-5-8-19(2,15-22-4)16(20)7-11-21(17,14-18)13-12-18/h12-13,16-17H,5-11,14-15H2,1-4H3/t16?,17?,18-,19+,20-,21+/m1/s1
InChIKey NLOJYPAMQJGHTF-ZBWQBRTQSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87QUt2F3oNc
Name (4R,6ar,9S,11Bs)-4-(methoxymethyl)-4,9,11B-trimethyl-1,2,3,4,4A,5,6,9,10,11,11A,11B-dodecahydro-6A,9-methanocyclohepta[A]naphthalene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.260965714 u
Formula C21H34O
InChI InChI=1S/C21H34O/c1-18-10-6-17-20(3)9-5-8-19(2,15-22-4)16(20)7-11-21(17,14-18)13-12-18/h12-13,16-17H,5-11,14-15H2,1-4H3/t16?,17?,18-,19+,20-,21+/m1/s1
InChIKey NLOJYPAMQJGHTF-ZBWQBRTQSA-N
SMILES [C@@]12(C3[C@]4(C=C[C@](C4)(CC3)C)CCC1[C@](COC)(CCC2)C)C