Chem
J-GLOBAL ID:200907079408747657
Nikkaji number:J19.595B
Plaunol B
プラウノールB
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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:
C20 H20 O6
Molecular formula furigana:
C20-H20-O6
Molecular weight:
356.374
InChI:
InChI=1S/C20H20O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,14-16,21H,1-2,4,7-8,10H2/t14-,15+,16+,19+,20-/m0/s1
InChI key:
GQRWYOWPTLFVDK-AFJOWOCMSA-N
SMILES:
OC[C@@]12[C@H]3CC(=C)[C@]4(C[C@H](OC4=O)c4ccoc4)[C@H]1CCC=C2C(=O)O3
Systematic name (3):
(3S,5S,5′aS)-5-(3-フリル)-4,5,5′,5′aβ,7′,8′,8′aα,8′b-オクタヒドロ-8′bα-ヒドロキシメチル-7′-メチレンスピロ[フラン-3(2H),6′-[6H]ナフト[1,8-bc]フラン]-2,2′(4′H)-ジオン
(3S,4'R,5S,8'S,12'R)-5-(フラン-3-イル)-12'-(ヒドロキシメチル)-6'-メチリデン-3'-オキサスピロ[オキソラン-3,7'-トリシクロ[6.3.1.04,12 ]ドデカン]-1'(11')-エン-2,2'-ジオン
(3S,4'R,5S,8'S,12'R)-5-(furan-3-yl)-12'-(hydroxymethyl)-6'-methylidene-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.04,12 ]dodecan]-1'(11')-ene-2,2'-dione
Other name (3):
プラウノールB
Plaunol B
(3S,5S,5′aS)-5-(3-Furyl)-4,5,5′,5′aβ,7′,8′,8′aα,8′b-octahydro-8′bα-hydroxymethyl-7′-methylenespiro[furan-3(2H),6′-[6H]naphtho[1,8-bc]furan]-2,2′(4′H)-dione
CAS registry number:
69749-00-4
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