Chem
J-GLOBAL ID:200907083459424361
Nikkaji number:J1.854.641H
8a-Oxa-8a-homoerythromycin
8a-オキサ-8a-ホモエリスロマイシン
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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:
C37 H67 NO14
Molecular formula furigana:
C37-H67-N-O14
Molecular weight:
749.936
InChI:
InChI=1S/C37H67NO14/c1-14-25-37(10,45)29(40)22(6)33(43)47-19(3)16-35(8,44)31(52-34-27(39)24(38(11)12)15-18(2)48-34)20(4)28(21(5)32(42)50-25)51-26-17-36(9,46-13)30(41)23(7)49-26/h18-31,34,39-41,44-45H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25?,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1
InChI key:
QZECIRWQHVUBHE-FFBNXFHPSA-N
SMILES:
CCC1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Systematic name (4):
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(3,3-O-ジメチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシル)オキシ]-2-エチル-3,4,10-トリヒドロキシ-3,5,8,10,12,14-ヘキサメチル-11-[[3-(ジメチルアミノ)-3,4,6-トリデオキシ-β-D-xylo-ヘキソピラノシル]オキシ]-1,7-ジオキサシクロペンタデカン-6,15-ジオン
8a-オキサ-8a-ホモエリスロマイシン
(3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-12-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-エチル-4,5,13-トリヒドロキシ-10-{[(2R,4R,5S,6S)-5-ヒドロキシ-4-メトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-3,5,9,11,13,15-ヘキサメチル-1,7-ジオキサシクロペンタデカン-2,8-ジオン
(3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-12-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-ethyl-4,5,13-trihydroxy-10-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,9,11,13,15-hexamethyl-1,7-dioxacyclopentadecane-2,8-dione
Other name (2):
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(3,3-O-Dimethyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3-(dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]-1,7-dioxacyclopentadecane-6,15-dione
8a-Oxa-8a-homoerythromycin
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