Chem
J-GLOBAL ID:200907024045701790   Nikkaji number:J10.322E

(-)-Millettone

(-)-ミレットン
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: C22H18O6
Molecular formula furigana: C22-H18-O6
Molecular weight: 378.380
InChI: InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1
InChI key: TXNSUHKZCOMFPN-MOPGFXCFSA-N
SMILES: CC1(C)Oc2ccc3C(=O)[C@@H]4[C@@H](COc5cc6OCOc6cc45)Oc3c2C=C1
Systematic name  (3):
  • [5aS,12bS,(-)]-5a,12b-ジヒドロ-2,2-ジメチル-2H-[1,3]ジオキソロ[4,5-g]ピラノ[2,3-c:6,5-f′]ビス[1]ベンゾピラン-13(6H)-オン
  • (1S,14S)-7,7-ジメチル-2,8,18,20,24-ペンタオキサヘキサシクロ[12.11.0.03,12.04,9.015,23.017,21]ペンタコサ-3,5,9,11,15,17(21),22-ヘプタエン-13-オン
  • (1S,14S)-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3,5,9,11,15,17(21),22-heptaen-13-one
Other name (3):
  • (-)-ミレットン
  • (-)-Millettone
  • [5aS,12bS,(-)]-5a,12b-Dihydro-2,2-dimethyl-2H-[1,3]dioxolo[4,5-g]pyrano[2,3-c:6,5-f′]bis[1]benzopyran-13(6H)-one
CAS registry number: 50376-38-0
KEGG COMPOUND: C10506
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