Chem
J-GLOBAL ID:200907049190704245
Nikkaji number:J221.692B
M-4209
カルボマイシンA
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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:
C42 H67 NO16
Molecular formula furigana:
C42-H67-N-O16
Molecular weight:
841.989
InChI:
InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39?,40+,41+,42-/m1/s1
InChI key:
FQVHOULQCKDUCY-UGLHYEPTSA-N
SMILES:
COC1[C@@H](CC(=O)O[C@H](C)C[C@@H]2O[C@H]2/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(=O)C
Systematic name (3):
(4R,5S,6S,7R,9R,11E,13S,14S,16R)-6-[3-(ジメチルアミノ)-4-O-[3-メチル-4-O-(3-メチルブチリル)-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシル]-3,6-ジデオキシ-β-D-gluco-ヘキソピラノシルオキシ]-4-アセトキシ-5-メトキシ-9,16-ジメチル-7-(2-オキソエチル)-13,14-エポキシ-1-オキサシクロヘキサデカ-11-エン-2,10-ジオン
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(アセチルオキシ)-8-メトキシ-3,12-ジメチル-5,13-ジオキソ-10-(2-オキソエチル)-4,17-ジオキサビシクロ[14.1.0]ヘプタデカ-14-エン-9-イル]オキシ}-4-(ジメチルアミノ)-5-ヒドロキシ-2-メチルオキサン-3-イル]オキシ}-4-ヒドロキシ-2,4-ジメチルオキサン-3-イル 3-メチルブタノアート
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
Other name (8):
カルボマイシンA
Deltamycin A4
Magnamycin A
M-4209
Carbomycin A
デルタマイシンA4
マグナマイシンA
(4R,5S,6S,7R,9R,11E,13S,14S,16R)-6-[3-(Dimethylamino)-4-O-[3-methyl-4-O-(3-methylbutyryl)-2,6-dideoxy-α-L-ribo-hexopyranosyl]-3,6-dideoxy-β-D-gluco-hexopyranosyloxy]-4-acetoxy-5-methoxy-9,16-dimethyl-7-(2-oxoethyl)-13,14-epoxy-1-oxacyclohexadeca-11-ene-2,10-dione
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CAS registry number:
4564-87-8
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