Chem
J-GLOBAL ID：200907039927458539   Nikkaji number：J342.301H

Repromicin

レプロミシン
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： C31H51NO7
Molecular formula furigana： C31-H51-N-O7
Molecular weight： 549.749
InChI： InChI=1S/C31H51NO7/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)29(22(6)26(35)17-28(36)39-27)31-30(37)24(32(7)8)16-21(5)38-31/h10-11,13-14,19-24,26-27,29-31,35,37H,9,12,15-17H2,1-8H3/b11-10+,18-14?/t19-,20+,21-,22+,23?,24+,26-,27-,29-,30-,31+/m1/s1
InChI key： YEGMQZFTRQEIDQ-XEOQKJPXSA-N
SMILES： CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H]([C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)C(CC=O)C[C@@H](C)C(=O)/C=C/C(=C[C@@H]1C)C
Systematic name  (3)：
  • (4R,5R,6S,7R,9R,11E,15S,16R)-6-[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]-5,9,13,15-テトラメチル-16-エチル-7-(2-オキソエチル)-4-ヒドロキシオキサシクロヘキサデカ-11,13-ジエン-2,10-ジオン
  • 2-[(4R,5R,6S,7R,9R,11E,15S,16R)-6-[(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]-16-エチル-4-ヒドロキシ-5,9,13,15-テトラメチル-2,10-ジオキソ-1-オキサシクロヘキサデカ-11,13-ジエン-7-イル]アセトアルデヒド
  • 2-[(4R,5R,6S,7R,9R,11E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Other name (4)：
  • レプロマイシン
  • Repromicin
  • レプロミシン
  • (4R,5R,6S,7R,9R,11E,15S,16R)-6-[3-(Dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]-5,9,13,15-tetramethyl-16-ethyl-7-(2-oxoethyl)-4-hydroxyoxacyclohexadeca-11,13-diene-2,10-dione
CAS registry number： 56689-42-0
KEGG DRUG： D05717
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