Chem
J-GLOBAL ID：200907084565093648   Nikkaji number：J323.068F

Paraherquamide A

パラヘルクアミドA
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： C28H35N3O5
Molecular formula furigana： C28-H35-N3-O5
Molecular weight： 493.604
InChI： InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1
InChI key： UVZZDDLIOJPDKX-ITKQZBBDSA-N
SMILES： CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@]14CN2CC[C@@]3(C)O)C(=O)Nc1c5ccc2OC(C)(C)C=COc12
Systematic name  (4)：
  • (1′R,5′aβ,8R,8′aβ,9′aβ)-2′,3′,8′a,9′-テトラヒドロ-1′-ヒドロキシ-1′,4,4,8′,8′,11′-ヘキサメチルスピロ[4H,8H-[1,4]ジオキセピノ[2,3-g]インドール-8,7′(8′H)-[5H,6H-5a,9a](イミノメタノ)[1H]シクロペンタ[f]インドリジン]-9,10′(10H)-ジオン
  • (1′R,5′aS,8R,8′aS,9′aR)-2′,3′,8′a,9′-テトラヒドロ-1′-ヒドロキシ-1′,4,4,8′,8′,11′-ヘキサメチルスピロ[4H,8H-[1,4]ジオキセピノ[2,3-g]インドール-8,7′(8′H)-[5H,6H-5a,9a](イミノメタノ)[1H]シクロペンタ[f]インドリジン]-9,10′(10H)-ジオン
  • (1'R,3'S,7'S,8R,12'R)-12'-ヒドロキシ-4,4,4',4',12',14'-ヘキサメチル-9,10-ジヒドロ-4H-9',14'-ジアザスピロ[[1,4]ジオキセピノ[2,3-g]インドール-8,5'-テトラシクロ[5.5.2.01,9.03,7]テトラデカン]-9,13'-ジオン
  • (1'R,3'S,7'S,8R,12'R)-12'-hydroxy-4,4,4',4',12',14'-hexamethyl-9,10-dihydro-4H-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.01,9.03,7]tetradecane]-9,13'-dione
Other name (6)：
  • パラヘルクアミド
  • Paraherquamide
  • パラヘルクアミドA
  • Paraherquamide A
  • (1′R,5′aβ,8R,8′aβ,9′aβ)-2′,3′,8′a,9′-Tetrahydro-1′-hydroxy-1′,4,4,8′,8′,11′-hexamethylspiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,7′(8′H)-[5H,6H-5a,9a](iminomethano)[1H]cyclopenta[f]indolizine]-9,10′(10H)-dione
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CAS registry number： 77392-58-6
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