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Dimethyl [ 1R-(1.alpha.,4a.alpha.,5.beta.,6.alpha.,7.beta.,8a.alpha.)]-decahydro-6,7-dihydroxy-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl)naphthalene-1,6-dicarboxylate
SpectraBase Compound ID 7FiDwvEPyWs
InChI InChI=1S/C22H36O7/c1-13(2)14(23)8-9-15-20(3)10-7-11-21(4,18(25)28-5)16(20)12-17(24)22(15,27)19(26)29-6/h13,15-17,24,27H,7-12H2,1-6H3/t15-,16-,17+,20+,21-,22-/m1/s1
InChIKey GMSSDYJRBUOTQK-GEUAHIMTSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H36O7
Exact Mass 412.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TJgnwbFcu
Name Dimethyl [ 1R-(1.alpha.,4a.alpha.,5.beta.,6.alpha.,7.beta.,8a.alpha.)]-decahydro-6,7-dihydroxy-1,4a-dimethyl-5-( 4'-methyl-3'-oxopentyl)naphthalene-1,6-dicarboxylate
Alternate Name(s) Dimethyl (1R,4aR,5R,6R,7S,8aR)-6,7-dihydroxy-1,4a-dimethyl-5-(4-methyl-3-oxopentyl)decahydro-1,6-naphthalenedicarboxylate
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Formula C22H36O7
InChI InChI=1S/C22H36O7/c1-13(2)14(23)8-9-15-20(3)10-7-11-21(4,18(25)28-5)16(20)12-17(24)22(15,27)19(26)29-6/h13,15-17,24,27H,7-12H2,1-6H3/t15-,16-,17+,20+,21-,22-/m1/s1
InChIKey GMSSDYJRBUOTQK-GEUAHIMTSA-N
Molecular Weight 412.523 g/mol
SMILES O[C@]1(C[C@]2([C@@](CCC[C@]2([C@]([C@@]1(C(=O)OC)O)(CCC(=O)C(C)C)[H])C)(C(=O)OC)C)[H])[H]
SPLASH splash10-052o-9416000000-300d16df9736291afce0
Source of Spectrum AH-126-1115-10
Wiley ID 1374427