Chem
J-GLOBAL ID：200907074528900341   Nikkaji number：J10.501E

α-Toxicarol

α-トキシカロール
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： C23H22O7
Molecular formula furigana： C23-H22-O7
Molecular weight： 410.422
InChI： InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
InChI key： JLTNCZQNGBLBGO-MOPGFXCFSA-N
SMILES： COc1cc2OC[C@H]3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)[C@H]3c2cc1OC
Systematic name  (4)：
  • (7aS,13aS)-13,13a-ジヒドロ-6-ヒドロキシ-9,10-ジメトキシ-3,3-ジメチル-3H-ビス[1]ベンゾピラノ[3,4-b:6′,5′-e]ピラン-7(7aH)-オン
  • (7aS)-13,13aα-ジヒドロ-6-ヒドロキシ-9,10-ジメトキシ-3,3-ジメチル-3H-ビス[1]ベンゾピラノ[3,4-b:6′,5′-e]ピラン-7(7aαH)-オン
  • (1S,14S)-11-ヒドロキシ-17,18-ジメトキシ-7,7-ジメチル-2,8,21-トリオキサペンタシクロ[12.8.0.03,12.04,9.015,20]ドコサ-3,5,9,11,15(20),16,18-ヘプタエン-13-オン
  • (1S,14S)-11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
Other name (4)：
  • α-トキシカロール
  • α-Toxicarol
  • (7aS,13aS)-13,13a-Dihydro-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one
  • (7aS)-13,13aα-Dihydro-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aαH)-one
CAS registry number： 82-09-7
KEGG COMPOUND： C10537
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