Chem
J-GLOBAL ID：200907014929456638   Nikkaji number：J37.129G

Rosamicin

ロサミシン
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： C31H51NO9
Molecular formula furigana： C31-H51-N-O9
Molecular weight： 581.747
InChI： InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28?,29+,30+,31+/m1/s1
InChI key： IUPCWCLVECYZRV-WMNDRESDSA-N
SMILES： CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C
Systematic name  (3)：
  • 4′-デオキシシラマイシンA1
  • 2-[(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-{[(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}-3-エチル-7-ヒドロキシ-2,8,12,16-テトラメチル-5,13-ジオキソ-4,17-ジオキサビシクロ[14.1.0]ヘプタデカ-14-エン-10-イル]アセトアルデヒド
  • 2-[(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Other name (11)：
  • ロサラミシン
  • ロサラマイシン
  • Sch-14947
  • Rosaramicin
  • ロサミシン
Show all
CAS registry number： 35834-26-5
Regulation number (1)：
  • EINECS2527421
KEGG DRUG： D05757
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