Chem
J-GLOBAL ID：201107036420646499   Nikkaji number：J2.940.182I

7β-Allyl-7-(1-tosyl-1H-indole-3-ylmethyl)-3-isobutoxy-2-cycloheptene-1-one

7β-アリル-7-(1-トシル-1H-インドール-3-イルメチル)-3-イソブトキシ-2-シクロヘプテン-1-オン
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： C30H35NO4S
Molecular formula furigana： C30-H35-N-O4-S
Molecular weight： 505.670
InChI： InChI=1S/C30H35NO4S/c1-5-16-30(17-8-9-25(18-29(30)32)35-21-22(2)3)19-24-20-31(28-11-7-6-10-27(24)28)36(33,34)26-14-12-23(4)13-15-26/h5-7,10-15,18,20,22H,1,8-9,16-17,19,21H2,2-4H3/t30-/m1/s1
InChI key： XMWKOEHKMFOFOE-SSEXGKCCSA-N
SMILES： CC(C)COC1=CC(=O)[C@@](CC=C)(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(C)cc2)CCC1
Systematic name  (3)：
  • 7β-アリル-7-(1-トシル-1H-インドール-3-イルメチル)-3-イソブトキシ-2-シクロヘプテン-1-オン
  • (7S)-7-{[1-(4-メチルベンゼンスルホニル)-1H-インドール-3-イル]メチル}-3-(2-メチルプロポキシ)-7-(プロパ-2-エン-1-イル)シクロヘプタ-2-エン-1-オン
  • (7S)-7-{[1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]methyl}-3-(2-methylpropoxy)-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
Other name (1)：
  • 7β-Allyl-7-(1-tosyl-1H-indole-3-ylmethyl)-3-isobutoxy-2-cycloheptene-1-one
Thsaurus map：
Thesaurus Map

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