Chem
J-GLOBAL ID:200907081864295207
Nikkaji number:J86.060C
PR toxin
PRトキシン
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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:
C17 H20 O6
Molecular formula furigana:
C17-H20-O6
Molecular weight:
320.341
InChI:
InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1
InChI key:
GSPFUBNBRPVALJ-VIEAGMIOSA-N
SMILES:
C[C@H]1[C@@H](OC(=O)C)[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]12C)O[C@]3(C)C=O
Systematic name (4):
(1aR,5R,3′S)-2α-アセトキシ-2,3,3a,4,6,7bβ-ヘキサヒドロ-3α,3′,3aα-トリメチル-6-オキソスピロ[ナフト[1,2-b]オキシレン-5(1aH),2′-オキシラン]-3′-カルボアルデヒド
(1aR,3′S,5R)-2α-アセチルオキシ-2,3,3a,4,6,7bβ-ヘキサヒドロ-3α,3aα,3′-トリメチル-6-オキソスピロ[ナフト[1,2-b]オキシレン-5(1aβH),2′-オキシラン]-3′-カルボアルデヒド
(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-ホルミル-3,3',3a-トリメチル-6-オキソ-2,3,3a,4,6,7b-ヘキサヒドロ-1aH-スピロ[ナフト[1,2-b]オキシレン-5,2'-オキシラン]-2-イル アセタート
(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-formyl-3,3',3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1aH-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate
Other name (7):
PRトキシン
PR toxin
トキシンPR
Toxin PR
PRT
(1aR,5R,3′S)-2α-Acetoxy-2,3,3a,4,6,7bβ-hexahydro-3α,3′,3aα-trimethyl-6-oxospiro[naphth[1,2-b]oxirene-5(1aH),2′-oxirane]-3′-carbaldehyde
(1aR,3′S,5R)-2α-Acetyloxy-2,3,3a,4,6,7bβ-hexahydro-3α,3aα,3′-trimethyl-6-oxospiro[naphth[1,2-b]oxirene-5(1aβH),2′-oxirane]-3′-carbaldehyde
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CAS registry number:
56299-00-4
Regulation number (2):
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