Chem
J-GLOBAL ID:200907008341395942
Nikkaji number:J776.195C
KT-95
3-アセトキシ-6β-(アセチルチオ)-17-(シクロプロピルメチル)-7,8-ジデヒドロ-4,5α-エポキシモルフィナン-10-オン
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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:
C24 H25 NO5 S
Molecular formula furigana:
C24-H25-N-O5-S
Molecular weight:
439.530
InChI:
InChI=1S/C24H25NO5S/c1-12(26)29-17-7-5-15-19-22(17)30-23-18(31-13(2)27)8-6-16-20(21(15)28)25(11-14-3-4-14)10-9-24(16,19)23/h5-8,14,16,18,20,23H,3-4,9-11H2,1-2H3/t16-,18+,20-,23-,24-/m0/s1
InChI key:
JALSXEHOWOEHCB-SDAQKBEVSA-N
SMILES:
CC(=O)Oc1ccc2c3c1O[C@H]1[C@H](SC(=O)C)C=C[C@H]4[C@H](N(CC5CC5)CC[C@]314)C2=O
Systematic name (3):
3-アセトキシ-6β-(アセチルチオ)-17-(シクロプロピルメチル)-7,8-ジデヒドロ-4,5α-エポキシモルフィナン-10-オン
(1S,5S,13R,14R,17R)-14-(アセチルスルファニル)-4-(シクロプロピルメチル)-6-オキソ-12-オキサ-4-アザペンタシクロ[9.6.1.01,13 .05,17 .07,18 ]オクタデカ-7,9,11(18),15-テトラエン-10-イル アセタート
(1S,5S,13R,14R,17R)-14-(acetylsulfanyl)-4-(cyclopropylmethyl)-6-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13 .05,17 .07,18 ]octadeca-7,9,11(18),15-tetraen-10-yl acetate
Other name (2):
KT-95
3-Acetoxy-6β-(acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5α-epoxymorphinan-10-one
Thsaurus map:
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