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2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-[6-(acetyloxy)-1,5-dimethylhexyl]-5,6,7,8-tetrahydro- 3-methoxy-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
SpectraBase Compound ID LqhZ3NH326g
InChI InChI=1S/C26H38O7/c1-15(14-32-18(4)27)9-8-10-16(2)20-12-11-17(3)23-21(20)13-22(26(29)31-7)24(30-6)25(23)33-19(5)28/h13,15-17,20H,8-12,14H2,1-7H3/t15-,16-,17+,20-/m0/s1
InChIKey XAWLDKURBDCREC-LJCCNALRSA-N
Mol Weight 462.6 g/mol
Molecular Formula C26H38O7
Exact Mass 462.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jyi9vT93x79
Name 2-Naphthalenecarboxylic acid, 4-(acetyloxy)-8-[6-(acetyloxy)-1,5-dimethylhexyl]-5,6,7,8-tetrahydro- 3-methoxy-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
Alternate Name(s) Methyl (15S)-8,16-diacetoxy-7-methoxyserrulatan-19-oate Methyl (5R,8S)-4-(acetyloxy)-8-[(1S,5S)-6-(acetyloxy)-1,5-dimethylhexyl]-3-methoxy-5-methyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
CAS Registry Number 80144-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O7
InChI InChI=1S/C26H38O7/c1-15(14-32-18(4)27)9-8-10-16(2)20-12-11-17(3)23-21(20)13-22(26(29)31-7)24(30-6)25(23)33-19(5)28/h13,15-17,20H,8-12,14H2,1-7H3/t15-,16-,17+,20-/m0/s1
InChIKey XAWLDKURBDCREC-LJCCNALRSA-N
Molecular Weight 462.583 g/mol
SMILES c1(c(c(OC(=O)C)c2c(c1)[C@@](CC[C@]2(C)[H])([C@](CCC[C@@](COC(=O)C)(C)[H])(C)[H])[H])OC)C(=O)OC
SPLASH splash10-00kg-0090000000-cd4b76013df8a5445c88
Source of Spectrum B-34-1955-0
Wiley ID 1391083