Chem
J-GLOBAL ID:200907082934365042   Nikkaji number:J1.697.835C

(2S,3S,3a′α,7a′α)-3a′,3-[[(1E,3Z)-1,3-Butadiene-1,4-diyl]carbonyloxy[12,13-epoxytrichotheca-9-ene-4β,15-diyl]oxycarbonyl]hexahydro-2′,3′-dihydroxyspiro[oxirane-2,7′-[7H]furo[3,2-b]pyran]

フロリトキシンB
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: C29H34O11
Molecular formula furigana: C29-H34-O11
Molecular weight: 558.580
InChI: InChI=1S/C29H34O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-22,24,31-32H,6,8-10,12-14H2,1-2H3/b5-3-,7-4+/t16-,17-,18-,20?,21-,22?,24+,25-,26-,27-,28-,29+/m1/s1
InChI key: WWNGAYLSKFTSBS-FVTFXVBOSA-N
SMILES: CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@]56OCC[C@]7(O[C@@H]7C(=O)OC[C@@]2(CC1)[C@]4(C)[C@@]13CO1)[C@H]5OC(O)C6O
Systematic name  (3):
  • (2S,3S,3a′α,7a′α)-3a′,3-[[(1E,3Z)-1,3-ブタジエン-1,4-ジイル]カルボニルオキシ[12,13-エポキシトリコテカ-9-エン-4β,15-ジイル]オキシカルボニル]ヘキサヒドロ-2′,3′-ジヒドロキシスピロ[オキシラン-2,7′-[7H]フロ[3,2-b]ピラン]
  • (1S,3S,7R,12R,14R,15S,16S,17R,20Z,24R,28R)-25,26-ジヒドロキシ-10,16-ジメチル-2,5,13,18,27,31-ヘキサオキサスピロ[ヘプタシクロ[22.4.3.114,17.01,3.07,12.07,16.024,28]ドトリアコンタン-15,2'-オキシラン]-10,20,22-トリエン-4,19-ジオン
  • (1S,3S,7R,12R,14R,15S,16S,17R,20Z,24R,28R)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.114,17.01,3.07,12.07,16.024,28]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
Other name (2):
  • (2S,3S,3a′α,7a′α)-3a′,3-[[(1E,3Z)-1,3-Butadiene-1,4-diyl]carbonyloxy[12,13-epoxytrichotheca-9-ene-4β,15-diyl]oxycarbonyl]hexahydro-2′,3′-dihydroxyspiro[oxirane-2,7′-[7H]furo[3,2-b]pyran]
  • フロリトキシンB
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