Chem
J-GLOBAL ID:200907007065354386   Nikkaji number:J2.562.071B

PtilomycalinD

プチロミカリンD
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: C38H65N3O4
Molecular formula furigana: C38-H65-N3-O4
Molecular weight: 627.955
InChI: InChI=1S/C38H65N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-43-35(42)34-33-25-24-31-29-37(26-19-18-23-32(5-2)45-37)39-36(41(31)33)40-38(34)27-21-22-30(3)44-38/h18,23,30-34H,4-17,19-22,24-29H2,1-3H3,(H,39,40)/t30-,31+,32+,33-,34-,37+,38-/m0/s1
InChI key: SKCPQFBKUSHKQV-YXVLSGFMSA-N
SMILES: CCCCCCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@]4(CCC=C[C@@H](CC)O4)NC(=N[C@@]41CCC[C@H](C)O4)N23
Systematic name  (3):
  • (2R,2′aR,6′′S,7R,7′S,8′R,8′aS)-7-エチル-1′,2′,3′,3′′,4,4′′,5′′,6′′,7,8′a-デカヒドロ-6′′-メチル-2′aH-5′,6′,8′b-トリアザジスピロ[オキセピン-2(3H),4′(5′H)-アセナフチレン-7′(8′H),2′′-[2H]ピラン]-8′-カルボン酸ヘキサデシル
  • ヘキサデシル (1'R,2S,4'S,5'R,6S,7''R,10'R)-7''-エチル-6-メチル-4'',7''-ジヒドロ-3''H-ジスピロ[オキサン-2,6'-[7,9,12]トリアザトリシクロ[6.3.1.04,12]ドデカン-10',2''-オキセピナ]-7'-エン-5'-カルボキシラート
  • hexadecyl (1'R,2S,4'S,5'R,6S,7''R,10'R)-7''-ethyl-6-methyl-4'',7''-dihydro-3''H-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.04,12]dodecane-10',2''-oxepin]-7'-ene-5'-carboxylate
Other name (3):
  • (2R,2′aR,6′′S,7R,7′S,8′R,8′aS)-7-Ethyl-1′,2′,3′,3′′,4,4′′,5′′,6′′,7,8′a-decahydro-6′′-methyl-2′aH-5′,6′,8′b-triazadispiro[oxepin-2(3H),4′(5′H)-acenaphthylene-7′(8′H),2′′-[2H]pyran]-8′-carboxylic acid hexadecyl ester
  • プチロミカリンD
  • PtilomycalinD
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