Chem
J-GLOBAL ID:200907024158904329
Nikkaji number:J85.025J
Rimocidin
リモシジン
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:
C39 H61 NO14
Molecular formula furigana:
C39-H61-N-O14
Molecular weight:
767.910
InChI:
InChI=1S/C39H61NO14/c1-4-14-27-17-11-9-7-6-8-10-12-18-28(54-39-36(48)34(40)35(47)23(3)52-39)22-32(46)33(37(49)50)31(45)21-26(43)19-24(41)15-13-16-25(42)20-30(44)29(5-2)38(51)53-27/h6-12,18,23-24,27-36,39,41,44-48H,4-5,13-17,19-22,40H2,1-3H3,(H,49,50)/t23-,24?,27?,28?,29?,30?,31?,32?,33?,34+,35-,36+,39?/m1/s1
InChI key:
NFPGARBTLUEZRE-JWOQCVGJSA-N
SMILES:
CCCC1CC=CC=CC=CC=CC(CC(O)C(C(O)CC(=O)CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1)C(=O)O)OC1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
Systematic name (3):
リモシジン
12-{[(3S,4S,5S,6R)-4-アミノ-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-27-エチル-14,16,20,26-テトラヒドロキシ-18,24,28-トリオキソ-2-プロピル-1-オキサシクロオクタコサ-4,6,8,10-テトラエン-15-カルボン酸
12-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-27-ethyl-14,16,20,26-tetrahydroxy-18,24,28-trioxo-2-propyl-1-oxacyclooctacosa-4,6,8,10-tetraene-15-carboxylic acid
Other name (1):
Regulation number (1):
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