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(3R)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid 2,3-dihydroxypropyl ester

View entire compound with spectra: 1 MS (GC)

(3R)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid 2,3-dihydroxypropyl ester
SpectraBase Compound ID JF9QJPFZ6H5
InChI InChI=1S/C23H38O5/c1-15(11-21(27)28-14-17(25)13-24)7-8-18-16(2)19(26)12-20-22(3,4)9-6-10-23(18,20)5/h15,17,20,24-25H,6-14H2,1-5H3/t15-,17?,20-,23+/m1/s1
InChIKey DAERMAJVJZOUAC-QEZTYZLNSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8x8b02LF1Xe
Name (3R)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid 2,3-dihydroxypropyl ester
Alternate Name(s) (3R)-5-[(4aR,8aR)-3-keto-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methyl-valeric acid glyceryl ester 2,3-bis(oxidanyl)propyl (3R)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxidanylidene-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methyl-pentanoate 2,3-Dihydroxypropyl (3R)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methyl-pentanoate
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Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-15(11-21(27)28-14-17(25)13-24)7-8-18-16(2)19(26)12-20-22(3,4)9-6-10-23(18,20)5/h15,17,20,24-25H,6-14H2,1-5H3/t15-,17?,20-,23+/m1/s1
InChIKey DAERMAJVJZOUAC-QEZTYZLNSA-N
Molecular Weight 394.552 g/mol
SMILES OC(CO)COC(C[C@@](CCC=1[C@]2([C@](C(C)(C)CCC2)([H])CC(C1C)=O)C)(C)[H])=O
SPLASH splash10-00kf-9310000000-6e3b5b0c665ecbc1b2dd
Source of Spectrum F-47-9748-8
Wiley ID 1366749