Chem
J-GLOBAL ID：200907047066921553   Nikkaji number：J1.666.140F

(S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (2R,3R)-3α,6′α,8-trimethyl-5-methoxy-10-oxo-3,3′,4,4′,5′,6′-hexahydrospiro[2H,10H-benzo[1,2-b:3,4-b′]dipyran-2,2′-[2H]-pyran]-4′α-yl ester

(2R,3'R,4R,6S)-5'-メトキシ-3',6,8'-トリメチル-10'-オキソ-4',10'-ジヒドロ-3'H-スピロ[オキサン-2,2'-ピラノ[2,3-f]クロメン]-4-イル (2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H31F3O8
Molecular formula furigana： C30-H31-F3-O8
Molecular weight： 576.565
InChI： InChI=1S/C30H31F3O8/c1-16-11-21-23(36-4)14-24-25(22(34)13-17(2)38-24)26(21)41-28(16)15-20(12-18(3)40-28)39-27(35)29(37-5,30(31,32)33)19-9-7-6-8-10-19/h6-10,13-14,16,18,20H,11-12,15H2,1-5H3/t16-,18+,20-,28-,29+/m1/s1
InChI key： TZGUKNYPMSGUTG-MQLKXBQZSA-N
SMILES： COc1cc2oc(C)cc(=O)c2c2O[C@]3(C[C@@H](C[C@H](C)O3)OC(=O)[C@@](OC)(c3ccccc3)C(F)(F)F)[C@H](C)Cc12
Systematic name  (3)：
  • (S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(2R,3R)-3α,6′α,8-トリメチル-5-メトキシ-10-オキソ-3,3′,4,4′,5′,6′-ヘキサヒドロスピロ[2H,10H-ベンゾ[1,2-b:3,4-b′]ジピラン-2,2′-[2H]-ピラン]-4′α-イル
  • (2R,3'R,4R,6S)-5'-メトキシ-3',6,8'-トリメチル-10'-オキソ-4',10'-ジヒドロ-3'H-スピロ[オキサン-2,2'-ピラノ[2,3-f]クロメン]-4-イル (2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • (2R,3'R,4R,6S)-5'-methoxy-3',6,8'-trimethyl-10'-oxo-4',10'-dihydro-3'H-spiro[oxane-2,2'-pyrano[2,3-f]chromen]-4-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (2R,3R)-3α,6′α,8-trimethyl-5-methoxy-10-oxo-3,3′,4,4′,5′,6′-hexahydrospiro[2H,10H-benzo[1,2-b:3,4-b′]dipyran-2,2′-[2H]-pyran]-4′α-yl ester
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