Chem
J-GLOBAL ID:200907095174905283
Nikkaji number:J12.821J
53183
アラノチン
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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:
C20 H18 N2 O7 S2
Molecular formula furigana:
C20-H18-N2-O7-S2
Molecular weight:
462.490
InChI:
InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChI key:
HXWOWBFXYUFFKS-PSJNWGMYSA-N
SMILES:
CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@H]12
Systematic name (4):
(5S)-5,5aα,13,13aα-テトラヒドロ-5α,13α-ジヒドロキシ-8H,16H-7aβ,15aβ-エピジチオ-7H,15H-ビスオキセピノ[3′,4′:4,5]ピロロ[1,2-a:1′,2′-d]ピラジン-7,15-ジオン5-アセタート
(5S)-5-アセチルオキシ-5,5aα,13,13aα-テトラヒドロ-13α-ヒドロキシ-8H,16H-7aβ,15aβ-エピジチオ-7H,15H-ビスオキセピノ[3′,4′:4,5]ピロロ[1,2-a:1′,2′-d]ピラジン-7,15-ジオン
(1R,4S,5S,12R,15S,16S)-16-ヒドロキシ-2,13-ジオキソ-8,19-ジオキサ-23,24-ジチア-3,14-ジアザヘキサシクロ[10.10.2.01,14 .03,12 .04,10 .015,21 ]テトラコサ-6,9,17,20-テトラエン-5-イル アセタート
(1R,4S,5S,12R,15S,16S)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14 .03,12 .04,10 .015,21 ]tetracosa-6,9,17,20-tetraen-5-yl acetate
Other name (10):
アラノチン
アンチビラル
53183
Aranotin
Antiviral
Antibiotic A-21101-III
A-21101-III
抗生物質A21101-III
(5S)-5-Acetyloxy-5,5aα,13,13aα-tetrahydro-13α-hydroxy-8H,16H-7aβ,15aβ-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione
(5S)-5,5aα,13,13aα-Tetrahydro-5α,13α-dihydroxy-8H,16H-7aβ,15aβ-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione 5-acetate
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CAS registry number:
19885-51-9
Regulation number (1):
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