Chem
J-GLOBAL ID:200907074306839938
Nikkaji number:J2.718.348D
Glabramycin C
グラブラマイシンC
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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 H24 O6
Molecular formula furigana:
C22-H24-O6
Molecular weight:
384.428
InChI:
InChI=1S/C22H24O6/c1-14-8-6-7-9-15-16(23)12-13-18-20(15)21(22(26)27-14)17(28-18)10-4-2-3-5-11-19(24)25/h2-5,10-15,18,20H,6-9H2,1H3,(H,24,25)/t14?,15-,18+,20+/m0/s1
InChI key:
JNAUHZYEDHLHAJ-SIWNLRPMSA-N
SMILES:
CC1CCCC[C@@H]2[C@@H]3[C@H](OC(=C3C(=O)O1)C=CC=CC=CC(=O)O)C=CC2=O
Systematic name (3):
(1R,11R,11aS)-1,6,7,8,9,10,11,11a-オクタヒドロ-6-メチル-4,12-ジオキソ-1,11-プロペノ-4H-2,5-ジオキサ-2H-シクロペンタシクロデセン-3-(2,4,6-ヘプタトリエン酸)
7-[(1R,12R,16S)-6-メチル-8,15-ジオキソ-7,11-ジオキサトリシクロ[7.6.1.012,16 ]ヘキサデカ-9,13-ジエン-10-イル]ヘプタ-2,4,6-トリエン酸
7-[(1R,12R,16S)-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16 ]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid
Other name (3):
(1R,11R,11aS)-1,6,7,8,9,10,11,11a-Octahydro-6-methyl-4,12-dioxo-1,11-propeno-4H-2,5-dioxa-2H-cyclopentacyclodecene-3-(2,4,6-heptatrienoic acid)
グラブラマイシンC
Glabramycin C
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