Chem
J-GLOBAL ID:200907021512237840   Nikkaji number:J1.505.435B

(2S)-8-(12-Hydroxydodecyloxymethyl)-2α,2:5α,5-bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene

(2S)-8-(12-ヒドロキシドデシルオキシメチル)-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
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: C34H53N3O4
Molecular formula furigana: C34-H53-N3-O4
Molecular weight: 567.815
InChI: InChI=1S/C34H53N3O4/c38-19-11-7-5-3-1-2-4-6-8-12-20-39-26-27-15-16-28-29(23-27)31-25-34(18-10-14-22-41-34)36-32-35-33(17-9-13-21-40-33)24-30(28)37(31)32/h15-16,23,30-31,38H,1-14,17-22,24-26H2,(H,35,36)/t30-,31+,33+,34-/m1/s1
InChI key: WZQXVDNFOMPELZ-DTDGMZBQSA-N
SMILES: OCCCCCCCCCCCCOCc1ccc2[C@H]3C[C@@]4(CCCCO4)NC4=N[C@@]5(CCCCO5)C[C@H](N34)c2c1
Systematic name  (3):
  • (2S)-8-(12-ヒドロキシドデシルオキシメチル)-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
  • 12-{[(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]メトキシ}ドデカン-1-オール
  • 12-{[(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]methoxy}dodecan-1-ol
Other name (1):
  • (2S)-8-(12-Hydroxydodecyloxymethyl)-2α,2:5α,5-bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene
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