Chem
J-GLOBAL ID：201307011822300264   Nikkaji number：J3.141.706F

Gracilamine

グラシラミン
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： C24H32N2O5
Molecular formula furigana： C24-H32-N2-O5
Molecular weight： 428.529
InChI： InChI=1S/C24H32N2O5/c1-4-29-22(28)24(10-12(2)3)19-15(27)9-18-23(5-6-25-18)14-8-17-16(30-11-31-17)7-13(14)21(26-24)20(19)23/h7-8,12,15,18-21,25-27H,4-6,9-11H2,1-3H3/t15?,18?,19-,20+,21+,23+,24+/m1/s1
InChI key： XKEZTPWVNWTNSN-NMJCSOOXSA-N
SMILES： CCOC(=O)[C@@]1(CC(C)C)N[C@@H]2[C@@H]3[C@H]1C(O)CC1NCC[C@@]31c1cc3OCOc3cc21
Systematic name  (3)：
  • (1α,4α,14S,21α)-20-ヒドロキシ-2-(2-メチルプロピル)-8,10-ジオキサ-3,17-ジアザヘキサシクロ[12.6.1.04,21.05,13.07,11.014,18]ヘニコサン-5,7(11),12-トリエン-2β-カルボン酸エチル
  • エチル (1S,11R,13S,14R,21R)-15-ヒドロキシ-13-(2-メチルプロピル)-5,7-ジオキサ-12,18-ジアザヘキサシクロ[9.9.1.01,17.02,10.04,8.014,21]ヘンイコサ-2,4(8),9-トリエン-13-カルボキシラート
  • ethyl (1S,11R,13S,14R,21R)-15-hydroxy-13-(2-methylpropyl)-5,7-dioxa-12,18-diazahexacyclo[9.9.1.01,17.02,10.04,8.014,21]henicosa-2,4(8),9-triene-13-carboxylate
Other name (5)：
  • (1α,4α,14S,21α)-20-Hydroxy-2-(2-methylpropyl)-8,10-dioxa-3,17-diazahexacyclo[12.6.1.04,21.05,13.07,11.014,18]henicosane-5,7(11),12-triene-2β-carboxylic acid ethyl ester
  • グラシラミン
  • Gracilamine
  • (-)-グラシラミン
  • (-)-Gracilamine
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