Chem
J-GLOBAL ID:200907097401764155
Nikkaji number:J2.228.796F
Biolimus
ビオリムス
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:
C51 H79 NO13
Molecular formula furigana:
C51-H79-N-O13
Molecular weight:
914.187
InChI:
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)41(61-8)29-43-32(3)21-22-51(60,65-43)48(57)49(58)52-23-15-14-18-38(52)50(59)64-42(34(5)26-37-19-20-39(53)44(27-37)62-9)28-40(54)33(4)25-36(7)46(56)47(63-10)45(55)35(6)24-30/h11-13,16-17,25,30,32-35,37-39,41-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,36-25+
InChI key:
OJHSOZISUPQYSD-OLKCGIJMSA-N
SMILES:
COC1CC(CC(C)C2CC(=O)C(C)/C=C(\C)/C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C(\C)/C(CC3OC(O)(CCC3C)C(=O)C(=O)N3CCCCC3C(=O)O2)OC)CCC1O
Systematic name (3):
(16E,24E,26E,28E)-12-[2-(4-ヒドロキシ-3-メトキシシクロヘキシル)-1-メチルエチル]-1,18-ジヒドロキシ-19,30-ジメトキシ-15,17,21,23,29,33-ヘキサメチル-11,36-ジオキサ-4-アザトリシクロ[30.3.1.04,9 ]ヘキサトリアコンタン-16,24,26,28-テトラエン-2,3,10,14,20-ペンタオン
(16E,24E,26E,28E)-1,18-ジヒドロキシ-12-[1-(4-ヒドロキシ-3-メトキシシクロヘキシル)プロパン-2-イル]-19,30-ジメトキシ-15,17,21,23,29,33-ヘキサメチル-11,36-ジオキサ-4-アザトリシクロ[30.3.1.04,9 ]ヘキサトリアコンタ-16,24,26,28-テトラエン-2,3,10,14,20-ペンタオン
(16E,24E,26E,28E)-1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,33-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9 ]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Other name (4):
(16E,24E,26E,28E)-12-[2-(4-Hydroxy-3-methoxycyclohexyl)-1-methylethyl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,33-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9 ]hexatriacontane-16,24,26,28-tetraene-2,3,10,14,20-pentaone
ビオリムス
バイオリムス
Biolimus
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