Chem
J-GLOBAL ID：200907085781878001   Nikkaji number：J872.890I

Sclerotiamide

スクレロチアミド
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： C26H29N3O5
Molecular formula furigana： C26-H29-N3-O5
Molecular weight： 463.534
InChI： InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1
InChI key： CFJMAERFDLWMJL-LQKPOZSPSA-N
SMILES： CC1(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]2(NC4=O)[C@@H](O)[C@]21C(=O)Nc1c2ccc2OC(C)(C)C=Cc12
Systematic name  (3)：
  • (5aβ,7R,9aβ)-1′,2,3,7′,8aβ,9-ヘキサヒドロ-6β-ヒドロキシ-7′,7′,8,8-テトラメチルスピロ[5H,6H-5a,9a-(イミノメタノ)-1H-シクロペンタ[f]インドリジン-7(8H),3′(2′H)-ピラノ[2,3-g]インドール]-2′,5,10-トリオン
  • (1'S,3R,3'S,6'S,7'R)-6'-ヒドロキシ-4',4',7,7-テトラメチル-2,7-ジヒドロ-1H-9',14'-ジアザスピロ[クロメノ[5,6-b]ピロール-3,5'-テトラシクロ[5.5.2.01,9.03,7]テトラデカン]-2,8',13'-トリオン
  • (1'S,3R,3'S,6'S,7'R)-6'-hydroxy-4',4',7,7-tetramethyl-2,7-dihydro-1H-9',14'-diazaspiro[chromeno[5,6-b]pyrrole-3,5'-tetracyclo[5.5.2.01,9.03,7]tetradecane]-2,8',13'-trione
Other name (3)：
  • スクレロチアミド
  • Sclerotiamide
  • (5aβ,7R,9aβ)-1′,2,3,7′,8aβ,9-Hexahydro-6β-hydroxy-7′,7′,8,8-tetramethylspiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),3′(2′H)-pyrano[2,3-g]indole]-2′,5,10-trione
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