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(S)-5-((1S,4aS,8aR)-8a-Acetoxymethyl-2,5,5-trimethyl-1,4,4a,5,6,8a-hexahydro-naphthalen-1-yl)-3-methyl-pentanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(S)-5-((1S,4aS,8aR)-8a-Acetoxymethyl-2,5,5-trimethyl-1,4,4a,5,6,8a-hexahydro-naphthalen-1-yl)-3-methyl-pentanoic acid methyl ester
SpectraBase Compound ID GVtWHElTBbW
InChI InChI=1S/C23H36O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,5)12-7-13-23(19,20)15-27-18(3)24/h7,9,13,16,19-20H,8,10-12,14-15H2,1-6H3/t16-,19-,20-,23-/m0/s1
InChIKey IODKZXFCPTZGGV-ZPDADZDASA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63wRR3vFdBQ
Name (S)-5-((1S,4aS,8aR)-8a-Acetoxymethyl-2,5,5-trimethyl-1,4,4a,5,6,8a-hexahydro-naphthalen-1-yl)-3-methyl-pentanoic acid methyl ester
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Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,5)12-7-13-23(19,20)15-27-18(3)24/h7,9,13,16,19-20H,8,10-12,14-15H2,1-6H3/t16-,19-,20-,23-/m0/s1
InChIKey IODKZXFCPTZGGV-ZPDADZDASA-N
Molecular Weight 376.537 g/mol
SMILES [C@]12([C@@](CC=C([C@@]2(CC[C@@](CC(=O)OC)(C)[H])[H])C)(C(C)(C)CC=C1)[H])COC(=O)C
SPLASH splash10-0r6r-8791000000-02c185c3f3fb1d8b43ac
Source of Spectrum F-59-2341-49
Synonyms Methyl 17-acetoxy-7,13E-labdadien-15-oate
Wiley ID 1677530