Chem
J-GLOBAL ID：201707015210209360
Nikkaji number：J3.600.233F
5′-Bromo-1′-benzyl-3-phenyl-3β-hydroxy-7-(dibenzylamino)spiro[2H-1-benzopyran-4(3H),3′(2′H)-[1H]indole]-2′-one
5′-ブロモ-1′-ベンジル-3-フェニル-3β-ヒドロキシ-7-(ジベンジルアミノ)スピロ[2H-1-ベンゾピラン-4(3H),3′(2′H)-[1H]インドール]-2′-オン
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
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
Molecular formula： C43H35BrN2O3
Molecular formula furigana： C43-H35-BR-N2-O3
Molecular weight： 707.668
InChI：
InChI=1S/C43H35BrN2O3/c44-35-21-24-39-38(25-35)43(41(47)46(39)29-33-17-9-3-10-18-33)37-23-22-36(26-40(37)49-30-42(43,48)34-19-11-4-12-20-34)45(27-31-13-5-1-6-14-31)28-32-15-7-2-8-16-32/h1-26,48H,27-30H2/t42-,43?/m0/s1
InChI key：
DCJYJLOHXNXRKH-ZAGGQVEOSA-N
SMILES：
O[C@@]1(COc2cc(ccc2C21C(=O)N(Cc1ccccc1)c1ccc(Br)cc21)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
Systematic name (3)：
- 5′-ブロモ-1′-ベンジル-3-フェニル-3β-ヒドロキシ-7-(ジベンジルアミノ)スピロ[2H-1-ベンゾピラン-4(3H),3′(2′H)-[1H]インドール]-2′-オン
- (3S)-1'-ベンジル-5'-ブロモ-7-(ジベンジルアミノ)-3-ヒドロキシ-3-フェニル-1',2,2',3-テトラヒドロスピロ[1-ベンゾピラン-4,3'-インドール]-2'-オン
- (3S)-1'-benzyl-5'-bromo-7-(dibenzylamino)-3-hydroxy-3-phenyl-1',2,2',3-tetrahydrospiro[1-benzopyran-4,3'-indol]-2'-one
- 5′-Bromo-1′-benzyl-3-phenyl-3β-hydroxy-7-(dibenzylamino)spiro[2H-1-benzopyran-4(3H),3′(2′H)-[1H]indole]-2′-one
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