Chem
J-GLOBAL ID：200907028548738263   Nikkaji number：J1.373.726F

Smenospongine

スメノスポンギン
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： C21H29NO3
Molecular formula furigana： C21-H29-N-O3
Molecular weight： 343.467
InChI： InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
InChI key： LTNUWWZNTOSEML-NUATZEMDSA-N
SMILES： C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(N)C1=O
Systematic name  (5)：
  • 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-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-アミノシクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2-ヒドロキシ-3-[[(1R,8aα)-1,2β,4aβ-トリメチル-5-メチレンデカリン-1α-イル]メチル]-5-アミノ-1,4-ベンゾキノン
  • 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}-5-アミノ-2-ヒドロキシシクロヘキサ-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}-5-amino-2-hydroxycyclohexa-2,5-diene-1,4-dione
Other name (5)：
  • 3-[[(1R,8aα)-Decahydro-1,2β,4aβ-trimethyl-5-methylenenaphthalene-1α-yl]methyl]-2-hydroxy-5-amino-2,5-cyclohexadiene-1,4-dione
  • スメノスポンギン
  • Smenospongine
  • 2-[[(8aα)-1,2β,4aβ-Trimethyl-5-methylenedecalin-1α-yl]methyl]-3-hydroxy-6-aminocyclohexa-2,5-diene-1,4-dione
  • 2-Hydroxy-3-[[(1R,8aα)-1,2β,4aβ-trimethyl-5-methylenedecalin-1α-yl]methyl]-5-amino-1,4-benzoquinone
CAS registry number： 113021-53-7
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