Chem
J-GLOBAL ID:200907008143125140
Nikkaji number:J2.474.279B
Stigmatellin X
スチグマテリンX
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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:
C28 H38 O6
Molecular formula furigana:
C28-H38-O6
Molecular weight:
470.606
InChI:
InChI=1S/C28H38O6/c1-8-17(2)11-9-10-12-23(32-6)20(5)28(33-7)18(3)13-14-24-19(4)27(31)26-22(30)15-21(29)16-25(26)34-24/h8-12,15-16,18,20,23,28-30H,13-14H2,1-7H3/b11-9+,12-10+,17-8+/t18-,20+,23-,28-/m0/s1
InChI key:
BPELVOOPJCBAGM-GEJNJBTGSA-N
SMILES:
CO[C@@H](/C=C/C=C/C(=C/C)/C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2cc(O)cc(O)c2c(=O)c1C
Systematic name (3):
2-[(3S,4S,5S,6S,7E,9E,11E)-3,5,11-トリメチル-4,6-ジメトキシ-7,9,11-トリデカトリエニル]-3-メチル-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-ジメトキシ-3,5,11-トリメチルトリデカ-7,9,11-トリエン-1-イル]-5,7-ジヒドロキシ-3-メチル-4H-クロメン-4-オン
2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl]-5,7-dihydroxy-3-methyl-4H-chromen-4-one
Other name (3):
2-[(3S,4S,5S,6S,7E,9E,11E)-3,5,11-Trimethyl-4,6-dimethoxy-7,9,11-tridecatrienyl]-3-methyl-5,7-dihydroxy-4H-1-benzopyran-4-one
スチグマテリンX
Stigmatellin X
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