Chem
J-GLOBAL ID:200907016771304935   Nikkaji number:J1.115.598G

Neofolitispate-1

ネオホリチスパート1
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: C40H67N3O6
Molecular formula furigana: C40-H67-N3-O6
Molecular weight: 685.991
InChI: InChI=1S/C40H67N3O6/c1-4-33-23-18-19-27-39(49-33)30-32-25-26-34-36(40(28-21-22-31(2)48-40)42-38(41-39)43(32)34)37(45)47-29-20-16-14-12-10-8-6-5-7-9-11-13-15-17-24-35(44)46-3/h18,23,31-34,36H,4-17,19-22,24-30H2,1-3H3,(H,41,42)/t31-,32+,33+,34-,36?,39+,40-/m1/s1
InChI key: GHEDSWXRAIDICK-NSBABLROSA-N
SMILES: CC[C@@H]1O[C@]2(C[C@@H]3CC[C@@H]4C(C(=O)OCCCCCCCCCCCCCCCCC(=O)OC)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)CCC=C1
Systematic name  (3):
  • (2S,2′aS,6′′R,7S,7′R)-7-エチル-1′,2′,2′aα,3′,3′′,4,4′′,5′′,6′′,7-デカヒドロ-6′′-メチル-8′aαH-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17-メトキシ-17-オキソヘプタデシル
  • メチル 17-{[(1'S,2R,4'R,6R,7''S,10'S)-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'-イル]カルボニルオキシ}ヘプタデカノアート
  • methyl 17-{[(1'S,2R,4'R,6R,7''S,10'S)-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'-en-5'-yl]carbonyloxy}heptadecanoate
Other name (3):
  • (2S,2′aS,6′′R,7S,7′R)-7-Ethyl-1′,2′,2′aα,3′,3′′,4,4′′,5′′,6′′,7-decahydro-6′′-methyl-8′aαH-5′,6′,8′b-triazadispiro[oxepin-2(3H),4′(5′H)-acenaphthylene-7′(8′H),2′′-[2H]pyran]-8′-carboxylic acid 17-methoxy-17-oxoheptadecyl ester
  • ネオホリチスパート1
  • Neofolitispate-1
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