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2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-3,4-dihydroxy-8-(6-hydroxy-1,5-dimethylhexyl)-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
SpectraBase Compound ID IM9mOh97e8b
InChI InChI=1S/C21H32O5/c1-12(11-22)6-5-7-13(2)15-9-8-14(3)18-16(15)10-17(21(25)26-4)19(23)20(18)24/h10,12-15,22-24H,5-9,11H2,1-4H3/t12?,13-,14-,15+/m0/s1
InChIKey LEWXVCOQFFOSMG-WIGRTHMWSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld56jKXpNAE
Name 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-3,4-dihydroxy-8-(6-hydroxy-1,5-dimethylhexyl)-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
CAS Registry Number 80144-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-12(11-22)6-5-7-13(2)15-9-8-14(3)18-16(15)10-17(21(25)26-4)19(23)20(18)24/h10,12-15,22-24H,5-9,11H2,1-4H3/t12?,13-,14-,15+/m0/s1
InChIKey LEWXVCOQFFOSMG-WIGRTHMWSA-N
Molecular Weight 364.482 g/mol
SMILES Oc1c(c(cc2c1[C@](CC[C@@]2([C@](CCCC(CO)C)(C)[H])[H])(C)[H])C(=O)OC)O
SPLASH splash10-0f79-0090000000-ffcb2d194bba7b967443
Source of Spectrum B-34-1954-0
Synonyms Methyl (15S)-7,8,16-trihydroxyserrulatan-19-oate Methyl (5S,8R)-3,4-dihydroxy-8-[(1S)-6-hydroxy-1,5-dimethylhexyl]-5-methyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
Wiley ID 1350899