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2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-(6-hydroxy-1,5-dimethylhexyl)-3-methoxy-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
SpectraBase Compound ID G0a8fWsSTn6
InChI InChI=1S/C22H34O4/c1-14(13-23)7-6-8-15(2)17-10-9-16(3)18-12-21(25-4)20(11-19(17)18)22(24)26-5/h11-12,14-17,23H,6-10,13H2,1-5H3/t14?,15-,16-,17+/m0/s1
InChIKey MBPRPHFWEIRMNY-YNBOMUFVSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRKfhs1DtI3
Name 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-(6-hydroxy-1,5-dimethylhexyl)-3-methoxy-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
CAS Registry Number 80144-91-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(13-23)7-6-8-15(2)17-10-9-16(3)18-12-21(25-4)20(11-19(17)18)22(24)26-5/h11-12,14-17,23H,6-10,13H2,1-5H3/t14?,15-,16-,17+/m0/s1
InChIKey MBPRPHFWEIRMNY-YNBOMUFVSA-N
Molecular Weight 362.510 g/mol
SMILES OCC(CCC[C@@]([C@@]1(c2c(cc(c(c2)C(=O)OC)OC)[C@@](C)(CC1)[H])[H])(C)[H])C
SPLASH splash10-001i-0190000000-723615ba5658e1e31af2
Source of Spectrum B-34-1955-0
Synonyms Methyl (15S)-16-hydroxy-7-methoxyserrulatan-19-oate Methyl (5S,8R)-8-[(1S)-6-hydroxy-1,5-dimethylhexyl]-3-methoxy-5-methyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
Wiley ID 1349842