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3,4-Dihydroxy-7-methoxy-1,5-dimethyl-1,2,3,3a,6,9,10,10b-octahydro-cyclohept[bc]acenaphthylene-10a(1H)-carboxylic acid - 10a,3-lactone
SpectraBase Compound ID CGRp1N5adk8
InChI InChI=1S/C20H24O4/c1-9-6-12(23-3)8-11-4-5-20-10(2)7-13(24-19(20)22)16-17(20)15(11)14(9)18(16)21/h8,10,13,16-18,21H,4-7H2,1-3H3/t10-,13+,16-,17-,18+,20-/m1/s1
InChIKey WGTLRBKMTVVDGT-XPSSQSPISA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSyNjw5IPno
Name 3,4-Dihydroxy-7-methoxy-1,5-dimethyl-1,2,3,3a,6,9,10,10b-octahydro-cyclohept[bc]acenaphthylene-10a(1H)-carboxylic acid - 10a,3-lactone
Alternate Name(s) (1R,11S,12R,13S,16S,18R)-18-hydroxy-6-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1(9,12).0(1,11).0(4,10)]octadeca-4(10),5,8-trien-15-one
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Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-9-6-12(23-3)8-11-4-5-20-10(2)7-13(24-19(20)22)16-17(20)15(11)14(9)18(16)21/h8,10,13,16-18,21H,4-7H2,1-3H3/t10-,13+,16-,17-,18+,20-/m1/s1
InChIKey WGTLRBKMTVVDGT-XPSSQSPISA-N
Molecular Weight 328.408 g/mol
SMILES O[C@]1(C=2C=3[C@@]4([C@]1([C@@]1(C[C@]([C@]4(C(O1)=O)CCC3C=C(OC)CC2C)(C)[H])[H])[H])[H])[H]
SPLASH splash10-002f-7916000000-98ea9cb62dc46cec7fa1
Source of Spectrum B-52-1107-44
Wiley ID 746828