Chem
J-GLOBAL ID:200907097725742545
Nikkaji number:J55.702A
Didrovaltratum
ジドロバルトラツム
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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:
C22 H32 O8
Molecular formula furigana:
C22-H32-O8
Molecular weight:
424.490
InChI:
InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChI key:
PHHROXLDZHUIGO-PNBTUHDLSA-N
SMILES:
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)C)[C@@]12CO1
Systematic name (4):
3-メチルブタン酸(1S,7R)-6α-アセチルオキシ-4aα,5,6,7aα-テトラヒドロ-4-[(3-メチル-1-オキソブトキシ)メチル]スピロ[シクロペンタ[c]ピラン-7(1H),2′-オキシラン]-1α-イル
(1S,7R)-4-[(3-メチルブチリルオキシ)メチル]-4aα,5,6,7aα-テトラヒドロスピロ[シクロペンタ[c]ピラン-7(1H),2′-オキシラン]-1α,6α-ジオール1-(3-メチルブタノアート)6-アセタート
[(1S,4aS,6S,7R,7aS)-6-(アセチルオキシ)-1-[(3-メチルブタノイル)オキシ]-4a,5,6,7a-テトラヒドロ-1H-スピロ[シクロペンタ[c]ピラン-7,2'-オキシラン]-4-イル]メチル 3-メチルブタノアート
[(1S,4aS,6S,7R,7aS)-6-(acetyloxy)-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl]methyl 3-methylbutanoate
Other name (6):
ジドロバルトラツム
Didrovaltratum
3-Methylbutanoic acid (1S,7R)-6α-acetyloxy-4aα,5,6,7aα-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1α-yl ester
(1S,7R)-4-[(3-Methylbutyryloxy)methyl]-4aα,5,6,7aα-tetrahydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1α,6α-diol 1-(3-methylbutanoate)6-acetate
ジヒドロイソバルトラート
Dihydroisovaltrate
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CAS registry number:
18296-45-2
Regulation number (1):
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