Chem
J-GLOBAL ID:200907038566244303
Nikkaji number:J1.006.734K
Erythromycin B enol ether
エリトロマイシンBエノールエーテル
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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 H65 NO11
Molecular formula furigana:
C37-H65-N-O11
Molecular weight:
699.923
InChI:
InChI=1S/C37H65NO11/c1-14-26-20(4)28(39)21(5)30-18(2)16-37(10,49-30)33(48-35-29(40)25(38(11)12)15-19(3)44-35)22(6)31(23(7)34(42)46-26)47-27-17-36(9,43-13)32(41)24(8)45-27/h19-29,31-33,35,39-41H,14-17H2,1-13H3/t19-,20+,21-,22+,23-,24+,25+,26-,27+,28+,29-,31+,32+,33-,35+,36-,37-/m1/s1
InChI key:
RVWZXQUMKFWVJM-JJRNAJBXSA-N
SMILES:
CC[C@H]1OC(=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@@]2(C)CC(=C(O2)[C@H](C)[C@@H](O)[C@H]1C)C
Systematic name (4):
(6R)-6,12-ジデオキシ-9-デオキソ-6,9-エポキシ-8,9-ジデヒドロエリスロマイシン
8,9-ジデヒドロ-6,12-ジデオキシ-9-デオキソ-9,6-エポキシエリトロマイシン
(2R,3S,4R,5R,8R,9S,10S,11R,12R)-11-{[(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}-5-エチル-3-ヒドロキシ-9-{[(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}-2,4,8,10,12,14-ヘキサメチル-6,15-ジオキサビシクロ[10.2.1]ペンタデカ-1(14)-エン-7-オン
(2R,3S,4R,5R,8R,9S,10S,11R,12R)-11-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-5-ethyl-3-hydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Other name (4):
(6R)-6,12-Dideoxy-9-deoxo-6,9-epoxy-8,9-didehydroerythromycin
8,9-Didehydro-6,12-dideoxy-9-deoxo-9,6-epoxyerythromycin
エリトロマイシンBエノールエーテル
Erythromycin B enol ether
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