Chem
J-GLOBAL ID:200907001947751685
Nikkaji number:J480.063J
K-252b
K-252b
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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:
C26 H19 N3 O5
Molecular formula furigana:
C26-H19-N3-O5
Molecular weight:
453.454
InChI:
InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17?,25-,26+/m0/s1
InChI key:
AMSOPBXQXSAAAC-WOPPVIIVSA-N
SMILES:
C[C@]12O[C@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Systematic name (3):
(9S)-2,3,9,10,11,12-ヘキサヒドロ-10β-ヒドロキシ-9-メチル-1-オキソ-9β,12β-エポキシ-1H-ジインドロ[1,2,3-fg:3′,2′,1′-kl]ピロロ[3,4-i][1,6]ベンゾジアゾシン-10-カルボン酸
(15S,16S,18R)-16-ヒドロキシ-15-メチル-3-オキソ-28-オキサ-4,14,19-トリアザオクタシクロ[12.11.2.115,18 .02,6 .07,27 .08,13 .019,26 .020,25 ]オクタコサ-1(26),2(6),7(27),8,10,12,20(25),21,23-ノナエン-16-カルボン酸
(15S,16S,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18 .02,6 .07,27 .08,13 .019,26 .020,25 ]octacosa-1(26),2(6),7(27),8,10,12,20(25),21,23-nonaene-16-carboxylic acid
Other name (2):
K-252b
(9S)-2,3,9,10,11,12-Hexahydro-10β-hydroxy-9-methyl-1-oxo-9β,12β-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid
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