Chem
J-GLOBAL ID:200907079901696042   Nikkaji number:J1.505.436K

(2S)-2α,2:5α,5-Bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene-8-palmitic acid

(2S)-2α,2:5α,5-ビス(エポキシブタノ)-1,3,5,6,6aα,10bα-ヘキサヒドロ-2H-3,4,10c-トリアザフルオランテン-8-パルミチン酸
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: C37H57N3O4
Molecular formula furigana: C37-H57-N3-O4
Molecular weight: 607.880
InChI: InChI=1S/C37H57N3O4/c41-34(42)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-29-20-21-30-31(26-29)33-28-37(23-15-17-25-44-37)39-35-38-36(22-14-16-24-43-36)27-32(30)40(33)35/h20-21,26,32-33H,1-19,22-25,27-28H2,(H,38,39)(H,41,42)/t32-,33+,36+,37-/m1/s1
InChI key: DLQMATIVMZZCMI-UWEVQPIVSA-N
SMILES: OC(=O)CCCCCCCCCCCCCCCc1ccc2[C@H]3C[C@@]4(CCCCO4)NC4=N[C@@]5(CCCCO5)C[C@H](N34)c2c1
Systematic name  (3):
  • (2S)-2α,2:5α,5-ビス(エポキシブタノ)-1,3,5,6,6aα,10bα-ヘキサヒドロ-2H-3,4,10c-トリアザフルオランテン-8-パルミチン酸
  • 16-[(1'R,2R,3'S,9'S)-ジスピロ[オキサン-2,7'-[4,6,16]トリアザテトラシクロ[7.6.1.05,16.010,15]ヘキサデカン-3',2''-オキサン]-5',10',12',14'-テトラエン-12'-イル]ヘキサデカン酸
  • 16-[(1'R,2R,3'S,9'S)-dispiro[oxane-2,7'-[4,6,16]triazatetracyclo[7.6.1.05,16.010,15]hexadecane-3',2''-oxane]-5',10',12',14'-tetraen-12'-yl]hexadecanoic acid
Other name (1):
  • (2S)-2α,2:5α,5-Bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene-8-palmitic acid
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