Chem
J-GLOBAL ID:200907000212960365
Nikkaji number:J1.100.473C
4,5,5aβ,6,7,11bα-Hexahydro-2-propyl-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol diacetate
4,5,5aβ,6,7,11bα-ヘキサヒドロ-2-プロピル-3-チア-5-アザ-3H-シクロペンタ[c]フェナントレン-9,10-ジオールジアセタート
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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:
C22 H25 NO4 S
Molecular formula furigana:
C22-H25-N-O4-S
Molecular weight:
399.510
InChI:
InChI=1S/C22H25NO4S/c1-4-5-15-9-17-21(28-15)11-23-18-7-6-14-8-19(26-12(2)24)20(27-13(3)25)10-16(14)22(17)18/h8-10,18,22-23H,4-7,11H2,1-3H3/t18-,22+/m1/s1
InChI key:
KTEBZVJGMARTOQ-GCJKJVERSA-N
SMILES:
CCCc1cc2[C@H]3[C@@H](CCc4cc(OC(=O)C)c(OC(=O)C)cc34)NCc2s1
Systematic name (3):
4,5,5aβ,6,7,11bα-ヘキサヒドロ-2-プロピル-3-チア-5-アザ-3H-シクロペンタ[c]フェナントレン-9,10-ジオールジアセタート
(1S,10R)-4-(アセチルオキシ)-15-プロピル-14-チア-11-アザテトラシクロ[8.7.0.02,7 .013,17 ]ヘプタデカ-2,4,6,13(17),15-ペンタエン-5-イル アセタート
(1S,10R)-4-(acetyloxy)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7 .013,17 ]heptadeca-2,4,6,13(17),15-pentaen-5-yl acetate
Other name (1):
4,5,5aβ,6,7,11bα-Hexahydro-2-propyl-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol diacetate
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