Chem
J-GLOBAL ID：200907015769917796   Nikkaji number：J466.823E

FR-111142

FR-111142
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： C22H34O7
Molecular formula furigana： C22-H34-O7
Molecular weight： 410.507
InChI： InChI=1S/C22H34O7/c1-13(2)6-8-17-21(4,29-17)20-19(26-5)16(10-11-22(20)12-27-22)28-18(25)9-7-15(24)14(3)23/h6-7,9,14-17,19-20,23-24H,8,10-12H2,1-5H3/b9-7+/t14?,15?,16-,17-,19-,20-,21+,22+/m1/s1
InChI key： PBVLBMJXKARLBU-VWNABXHMSA-N
SMILES： CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)/C=C/C(O)C(C)O
Systematic name  (3)：
  • (3R,4S)-5α-メトキシ-4β-[(2R,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-1-オキサスピロ[2.5]オクタン-6α-イル=(E)-4,5-ジヒドロキシ-2-ヘキセノアート
  • (3R,4S,5S,6R)-5-メトキシ-4-[(2R,3R)-2-メチル-3-(3-メチルブタ-2-エン-1-イル)オキシラン-2-イル]-1-オキサスピロ[2.5]オクタン-6-イル (2E)-4,5-ジヒドロキシヘキサ-2-エノアート
  • (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (2E)-4,5-dihydroxyhex-2-enoate
Other name (2)：
  • FR-111142
  • (3R,4S)-5α-Methoxy-4β-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]octan-6α-yl=(E)-4,5-dihydroxy-2-hexenoate
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