Chem
J-GLOBAL ID:200907050449404162   Nikkaji number:J964.872K

(-)-Digracine

(-)-ジグラシン
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: C34H34N2O6
Molecular formula furigana: C34-H34-N2-O6
Molecular weight: 566.654
InChI: InChI=1S/C34H34N2O6/c1-18-13-35-34-22-3-4-23(33(18,34)25-12-29-27(38-17-40-29)10-20(25)15-42-34)30-21(22)5-6-32-31(30,7-8-36(32)2)24-11-28-26(37-16-39-28)9-19(24)14-41-32/h3-6,9-12,18,21-23,30,35H,7-8,13-17H2,1-2H3/t18?,21-,22+,23-,30-,31-,32+,33+,34+/m0/s1
InChI key: BTXLDDJFXIMRHW-WTFDXPLTSA-N
SMILES: CC1CN[C@]23OCc4cc5OCOc5cc4[C@]12[C@H]1C=C[C@@H]3[C@@H]2C=C[C@@]34OCc5cc6OCOc6cc5[C@@]3(CCN4C)[C@H]12
Systematic name  (3):
  • (6aR)-19,22-ジメチル-8aα,9,16,16aα-テトラヒドロ-2,3:13,14-ビス(メチレンジオキシ)-5H,11H-9β,16β-エテノ-6aβ,16bβ:9aα,15bα-ビス(エピミノエタノ)-6,10-ジオキサベンゾ[a]ナフト[2,1-j]アントラセン
  • (1R,2S,3S,4S,16R,17R,18R,21R)-35,40-ジメチル-8,10,15,22,27,29-ヘキサオキサ-35,38-ジアザウンデカシクロ[19.11.3.34,16.23,17.01,21.02,18.04,16.05,13.07,11.024,32.026,30]テトラコンタ-5,7(11),12,19,24,26(30),31,36-オクタエン
  • (1R,2S,3S,4S,16R,17R,18R,21R)-35,40-dimethyl-8,10,15,22,27,29-hexaoxa-35,38-diazaundecacyclo[19.11.3.34,16.23,17.01,21.02,18.04,16.05,13.07,11.024,32.026,30]tetraconta-5,7(11),12,19,24,26(30),31,36-octaene
Other name (3):
  • (6aR)-19,22-Dimethyl-8aα,9,16,16aα-tetrahydro-2,3:13,14-bis(methylenedioxy)-5H,11H-9β,16β-etheno-6aβ,16bβ:9aα,15bα-bis(epiminoethano)-6,10-dioxabenzo[a]naphtho[2,1-j]anthracene
  • (-)-ジグラシン
  • (-)-Digracine
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