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6-Hydroxy-2-methoxy-4,8-dimethyl-4b,5,7,8,9,10-hexahydrophenanthrene-5,8a(6H)-dicarboxylic acid - -5-methylester - 8a,6-lactone

View entire compound with spectra: 1 MS (GC)

6-Hydroxy-2-methoxy-4,8-dimethyl-4b,5,7,8,9,10-hexahydrophenanthrene-5,8a(6H)-dicarboxylic acid - -5-methylester - 8a,6-lactone
SpectraBase Compound ID 6XoBXjQaeMS
InChI InChI=1S/C20H24O5/c1-10-7-13(23-3)9-12-5-6-20-11(2)8-14(25-19(20)22)16(18(21)24-4)17(20)15(10)12/h7,9,11,14,16-17H,5-6,8H2,1-4H3/t11-,14+,16+,17-,20-/m1/s1
InChIKey IHVCFTDVOWDJPK-IMEGPJHASA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0lxqf1oanZ
Name 6-Hydroxy-2-methoxy-4,8-dimethyl-4b,5,7,8,9,10-hexahydrophenanthrene-5,8a(6H)-dicarboxylic acid - -5-methylester - 8a,6-lactone
Alternate Name(s) Methyl (1R,10S,11R,12S,15S)-6-methoxy-8,15-dimethyl-14-oxo-13-oxatetracyclo[10.2.2.0(1,10).0(4,9)]hexadeca-4(9),5,7-triene-11-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-10-7-13(23-3)9-12-5-6-20-11(2)8-14(25-19(20)22)16(18(21)24-4)17(20)15(10)12/h7,9,11,14,16-17H,5-6,8H2,1-4H3/t11-,14+,16+,17-,20-/m1/s1
InChIKey IHVCFTDVOWDJPK-IMEGPJHASA-N
Molecular Weight 344.407 g/mol
SMILES [C@@]123C(O[C@@](C[C@]3(C)[H])([C@@]([C@]1(c1c(cc(cc1CC2)OC)C)[H])(C(=O)OC)[H])[H])=O
SPLASH splash10-014i-0049000000-25745a6d03fcd0b1134a
Source of Spectrum B-52-1101-17
Wiley ID 746853