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1-(4'-Hydroxy-3',5'-dimethoxyphenyl)-4.beta.,6-dihydroxy-3..beta.-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2..alpha.-naphthoic acid methyl ester
SpectraBase Compound ID 9yQ4VCFnmjr
InChI InChI=1S/C24H30O9/c1-11(2)33-17-9-13-14(8-16(17)26)22(27)15(10-25)21(24(29)32-5)20(13)12-6-18(30-3)23(28)19(7-12)31-4/h6-9,11,15,20-22,25-28H,10H2,1-5H3/t15-,20?,21-,22+/m0/s1
InChIKey KVANHUJTQCGMRZ-AJNJGYFJSA-N
Mol Weight 462.5 g/mol
Molecular Formula C24H30O9
Exact Mass 462.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azp7UlMwmHa
Name 1-(4'-Hydroxy-3',5'-dimethoxyphenyl)-4.beta.,6-dihydroxy-3..beta.-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2..alpha.-naphthoic acid methyl ester
Alternate Name(s) 1-(4'-Hydroxy-3',5'-dimethoxyphenyl)-4.beta.,6-dihydroxy-3-hydroxymethyl-7-isopropyloxy-1,2,3,4-tetrahydro-2-naphthoic acid methyl ester Methyl (2R,3R,4S)-4,6-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-isopropoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylate
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Formula C24H30O9
InChI InChI=1S/C24H30O9/c1-11(2)33-17-9-13-14(8-16(17)26)22(27)15(10-25)21(24(29)32-5)20(13)12-6-18(30-3)23(28)19(7-12)31-4/h6-9,11,15,20-22,25-28H,10H2,1-5H3/t15-,20?,21-,22+/m0/s1
InChIKey KVANHUJTQCGMRZ-AJNJGYFJSA-N
Molecular Weight 462.495 g/mol
SMILES Oc1cc2c(C(c3cc(c(c(c3)OC)O)OC)[C@]([C@@]([C@@]2(O)[H])(CO)[H])(C(=O)OC)[H])cc1OC(C)C
SPLASH splash10-0uei-0759600000-8b10e05454b960cc6cf4
Source of Spectrum E2-51-849-3
Wiley ID 1556173