Chem
J-GLOBAL ID:200907074319600314   Nikkaji number:J328.068C

(5aS,11bR,12cS)-15-Cyclopropylmethyl-4,5,5a,6,11,11bβ-hexahydro-5β,12c-(iminoethano)-12cH-benz[3,4]isobenzofuro[1,7-ab]carbazole-1,5aβ,10-triol

(5aS,11bR,12cS)-15-シクロプロピルメチル-4,5,5a,6,11,11bβ-ヘキサヒドロ-5β,12c-(イミノエタノ)-12cH-ベンゾ[3,4]イソベンゾフロ[1,7-ab]カルバゾール-1,5aβ,10-トリオール
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: C26H26N2O4
Molecular formula furigana: C26-H26-N2-O4
Molecular weight: 430.504
InChI: InChI=1S/C26H26N2O4/c29-17-3-1-2-15-16-11-26(31)19-10-14-6-7-18(30)23-20(14)25(26,8-9-28(19)12-13-4-5-13)24(32-23)22(16)27-21(15)17/h1-3,6-7,13,19,24,27,29-31H,4-5,8-12H2/t19-,24+,25+,26-/m1/s1
InChI key: HOGHXUGIFWBWRC-UAZYKBCHSA-N
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(O)cccc2c1C[C@@]35O
Systematic name  (3):
  • (5aS,11bR,12cS)-15-シクロプロピルメチル-4,5,5a,6,11,11bβ-ヘキサヒドロ-5β,12c-(イミノエタノ)-12cH-ベンゾ[3,4]イソベンゾフロ[1,7-ab]カルバゾール-1,5aβ,10-トリオール
  • (1S,2S,13R,21R)-22-(シクロプロピルメチル)-14-オキサ-11,22-ジアザヘプタシクロ[13.9.1.01,13.02,21.04,12.05,10.019,25]ペンタコサ-4(12),5,7,9,15(25),16,18-ヘプタエン-2,9,16-トリオール
  • (1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaene-2,9,16-triol
Other name (1):
  • (5aS,11bR,12cS)-15-Cyclopropylmethyl-4,5,5a,6,11,11bβ-hexahydro-5β,12c-(iminoethano)-12cH-benz[3,4]isobenzofuro[1,7-ab]carbazole-1,5aβ,10-triol
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