Chem
J-GLOBAL ID:200907066497565899
Nikkaji number:J24.823A
Novobiocin sodium
ノボビオシンナトリウム
Download MOL file
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:
C31 H35 N2 NaO11
Molecular formula furigana:
C31-H35-N2-NA-O11
Molecular weight:
634.614
InChI:
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26+,29+;/m1./s1
InChI key:
WWPRGAYLRGSOSU-CBXSZBOHSA-M
SMILES:
CO[C@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O[Na])c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Systematic name (3):
N-[7-[(3-O-カルバモイル-4-O,5-C-ジメチル-6-デオキシ-β-L-lyxo-ヘキソピラノシル)オキシ]-4-ヒドロキシ-8-メチル-2-オキソ-2H-1-ベンゾピラン-3-イル]-4-ソジオオキシ-3-(3-メチル-2-ブテニル)ベンズアミド
(3S,4S,5R,6S)-5-ヒドロキシ-6-({4-ヒドロキシ-8-メチル-3-[3-(3-メチルブタ-2-エン-1-イル)-4-(ソジオオキシ)ベンズアミド]-2-オキソ-2H-クロメン-7-イル}オキシ)-3-メトキシ-2,2-ジメチルオキサン-4-イル カルバマート
(3S,4S,5R,6S)-5-hydroxy-6-({4-hydroxy-8-methyl-3-[3-(3-methylbut-2-en-1-yl)-4-(sodiooxy)benzamido]-2-oxo-2H-chromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl carbamate
Other name (3):
ノボビオシンナトリウム
Novobiocin sodium
N-[7-[(3-O-Carbamoyl-4-O,5-C-dimethyl-6-deoxy-β-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-sodiooxy-3-(3-methyl-2-butenyl)benzamide
CAS registry number:
1476-53-5
Regulation number (2):
Thsaurus map:
Return to Previous Page