Chem
J-GLOBAL ID:200907046506477140
Nikkaji number:J236.070E
Acevaltrate
アセバルトラート
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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:
C24 H32 O10
Molecular formula furigana:
C24-H32-O10
Molecular weight:
480.510
InChI:
InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChI key:
FWKBQAVMKVZEOT-STCFVSJZSA-N
SMILES:
CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)(C)OC(=O)C)[C@]3(CO3)[C@@H]12
Systematic name (3):
3-アセチルオキシ-3-メチル酪酸[(1S,7R)-4-(アセチルオキシ)メチル-6,7aα-ジヒドロ-1α-(3-メチル-1-オキソブトキシ)スピロ[シクロペンタ[c]ピラン-7(1H),2′-オキシラン]-6α-イル]
(1S,6S,7R,7aS)-4-[(アセチルオキシ)メチル]-1-[(3-メチルブタノイル)オキシ]-6,7a-ジヒドロ-1H-スピロ[シクロペンタ[c]ピラン-7,2'-オキシラン]-6-イル 3-(アセチルオキシ)-3-メチルブタノアート
(1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate
Other name (11):
アセバルトラート
(アセチルオキシ)バレポトリアート
アセバルトラツウム
アセトキシバルトラート
アセトバルトラート
Acevaltrate
Acetovaltrate
Acetoxyvaltrate
(Acetyloxy)valepotriate
Acevaltratum
3-Acetyloxy-3-methylbutyric acid [(1S,7R)-4-(acetyloxy)methyl-6,7aα-dihydro-1α-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-6α-yl] ester
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CAS registry number:
25161-41-5
Regulation number (1):
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