Chem
J-GLOBAL ID：200907097043979861   Nikkaji number：J1.884.076F

Podolactone D

ポドラクトンD
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： C20H24O6[O-][S+]
Molecular formula furigana： C20-H24-O7-S
Molecular weight： 408.470
InChI： InChI=1S/C20H24O7S/c1-17-6-5-7-18(2)13(17)12(26-16(18)22)14-20(27-14)10(17)8-11(21)25-15(20)19(3,23)9-28(4)24/h5,7-8,12-15,23H,6,9H2,1-4H3/t12-,13+,14+,15+,17+,18-,19-,20-,28?/m0/s1
InChI key： JBOCKXJDIJBMIP-ATUGAVKGSA-N
SMILES： C[S+]([O-])C[C@](C)(O)[C@H]1OC(=O)C=C2[C@]31O[C@@H]3[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13
Systematic name  (3)：
  • (3aS)-6β,6aβ-エポキシ-1,3a,5aβ,6,6a,7,10b,10cβ-オクタヒドロ-3aβ,10bα-ジメチル-7β-[[(R)-1-ヒドロキシ-1-メチル-3-チアブタン3-オキシド]-1-イル]-4H,9H-フロ[2′,3′,4′:4,5]ナフト[2,1-c]ピラン-4,9-ジオン
  • (1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-ヒドロキシ-1-メタンスルフィニルプロパン-2-イル]-10,14-ジメチル-3,6,16-トリオキサペンタシクロ[8.6.1.02,4.04,9.014,17]ヘプタデカ-8,12-ジエン-7,15-ジオン
  • (1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methanesulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
Other name (3)：
  • (3aS)-6β,6aβ-Epoxy-1,3a,5aβ,6,6a,7,10b,10cβ-octahydro-3aβ,10bα-dimethyl-7β-[[(R)-1-hydroxy-1-methyl-3-thiabutane3-oxide]-1-yl]-4H,9H-furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,9-dione
  • ポドラクトンD
  • Podolactone D
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