Chem
J-GLOBAL ID：200907067428737188   Nikkaji number：J408.632E

Smenospongiarine

スメノスポンギアリン
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： C26H39NO3
Molecular formula furigana： C26-H39-N-O3
Molecular weight： 413.602
InChI： InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,30H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1
InChI key： VNDCVHMWISOLKI-DVBYZVISSA-N
SMILES： CC(C)CCNC1=CC(=O)C(=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O)O
Systematic name  (4)：
  • 3-[[(1R,8aα)-デカヒドロ-1,2β,4aβ-トリメチル-5-メチレンナフタレン]-1α-イルメチル]-2-ヒドロキシ-5-(3-メチルブチルアミノ)-2,5-シクロヘキサジエン-1,4-ジオン
  • 2-[[(8aα)-1,2β,4aβ-トリメチル-5-メチレンデカリン-1α-イル]メチル]-3-ヒドロキシ-6-(イソペンチルアミノ)シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 3-{[(1R,2S,4aS,8aS)-1,2,4a-トリメチル-5-メチリデン-デカヒドロナフタレン-1-イル]メチル}-2-ヒドロキシ-5-[(3-メチルブチル)アミノ]シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl]methyl}-2-hydroxy-5-[(3-methylbutyl)amino]cyclohexa-2,5-diene-1,4-dione
Other name (4)：
  • スメノスポンギアリン
  • Smenospongiarine
  • 3-[[(1R,8aα)-Decahydro-1,2β,4aβ-trimethyl-5-methylenenaphthalene]-1α-ylmethyl]-2-hydroxy-5-(3-methylbutylamino)-2,5-cyclohexadiene-1,4-dione
  • 2-[[(8aα)-1,2β,4aβ-Trimethyl-5-methylenedecalin-1α-yl]methyl]-3-hydroxy-6-(isopentylamino)cyclohexa-2,5-diene-1,4-dione
CAS registry number： 121994-52-3
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