Chem
J-GLOBAL ID：200907001228952962   Nikkaji number：J1.505.437I

12-[[(2S)-2α,2:5α,5-Bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene-8-yl]methoxy]lauric acid

12-[[(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-イル]メトキシ]ラウリン酸
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： C34H51N3O5
Molecular formula furigana： C34-H51-N3-O5
Molecular weight： 581.798
InChI： InChI=1S/C34H51N3O5/c38-31(39)14-8-6-4-2-1-3-5-7-11-19-40-25-26-15-16-27-28(22-26)30-24-34(18-10-13-21-42-34)36-32-35-33(17-9-12-20-41-33)23-29(27)37(30)32/h15-16,22,29-30H,1-14,17-21,23-25H2,(H,35,36)(H,38,39)/t29-,30+,33+,34-/m1/s1
InChI key： OMLIPVWBDNQMKN-FIYDMCFWSA-N
SMILES： OC(=O)CCCCCCCCCCCOCc1ccc2[C@H]3C[C@@]4(CCCCO4)NC4=N[C@@]5(CCCCO5)C[C@H](N34)c2c1
Systematic name  (3)：
  • 12-[[(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-イル]メトキシ]ラウリン酸
  • 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}ドデカン酸
  • 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}dodecanoic acid
Other name (1)：
  • 12-[[(2S)-2α,2:5α,5-Bis(epoxybutano)-1,3,5,6,6aα,10bα-hexahydro-2H-3,4,10c-triazafluoranthene-8-yl]methoxy]lauric acid
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