16-Deacetylfusidic Acid gamma-Lactone (2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-二羟基-3,6a,12a,12a,12b-四甲基-9-(4-甲基戊-3-烯-1-基)-2a,3,4,5,6,6a,6b,7,8a,11a,12,12a,12b-十四氢-1H-萘2',1':4,5]茚并[2,1-b]呋喃-10(2H)-一（夫西地酸钠杂质）

CAS 4701-54-6 MFCD04701546

化学结构图

4701-54-6
SMILES: CC(C)=CCCC1=C2C(CC3(C)C2CC(O)C2C4(C)CCC(O)C(C)C4CCC23C)OC1=O

化学属性

Mol. FormulaC29H44O4
Mol. Weight456.66
Boiling Point597.4±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name16-Deacetylfusidic Acid gamma-Lactone
Chemicalbook IDCB71315014
InChIKeyWESBIDUQKXCXGS-XEVGSQSQSA-N
Chemical Name Translation(2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-二羟基-3,6a,12a,12a,12b-四甲基-9-(4-甲基戊-3-烯-1-基)-2a,3,4,5,6,6a,6b,7,8a,11a,12,12a,12b-十四氢-1H-萘2',1':4,5]茚并[2,1-b]呋喃-10(2H)-一（夫西地酸钠杂质）
PubChem Substance ID12110531
InChIInChI=1S/C29H44O4/c1-16(2)8-7-9-18-24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)33-26(18)32/h8,17,19-23,25,30-31H,7,9-15H2,1-6H3/t17-,19?,20-,21+,22+,23-,25-,27-,28-,29-/m0/s1
Synonym (2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one (Sodium Fusidate Impurity) {LY} (2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one (Sodium Fusidate Impurity) {} {LY} (2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one (Sodium Fusidate Impurity) {} {} {LY} (2aS,3S,4R,6aS,6bS,7R,8aR,11aS,12aS,12bS)-4,7-Dihydroxy-3,6a,12a,12b-tetramethyl-9-(4-methylpent-3-en-1-yl)-2a,3,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-10(2H)-one (Sodium Fusidate Impurity) {} {}
CAS Number4701-54-6
Canonical SMILESC[C@@]12[C@]([C@@H](C[C@]3([H])[C@@]2(C[C@@]4([H])C3=C(C(O4)=O)CC/C=C(C)/C)C)O)([H])[C@@]5([C@@]([C@@H]([C@@H](CC5)O)C)([H])CC1)C
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安全信息

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