Chem
J-GLOBAL ID:200907041497508760
Nikkaji number:J1.252.362I
Methyl botryoloate
ボトリオール酸メチル
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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:
C18 H30 O6
Molecular formula furigana:
C18-H30-O6
Molecular weight:
342.432
InChI:
InChI=1S/C18H30O6/c1-10-7-12(24-11(2)20)14-16(3,4)8-17(5,9-19)18(14,22)13(10)15(21)23-6/h10,12-14,19,22H,7-9H2,1-6H3/t10-,12+,13-,14+,17-,18-/m1/s1
InChI key:
DZXAXKUHDLGMSG-KLUDYHNTSA-N
SMILES:
COC(=O)[C@H]1[C@H](C)C[C@H](OC(=O)C)[C@H]2C(C)(C)C[C@](C)(CO)[C@@]12O
Systematic name (3):
(3R,7aα)-オクタヒドロ-7α-アセトキシ-3aα-ヒドロキシ-3α-(ヒドロキシメチル)-1,1,3,5α-テトラメチル-1H-インデン-4β-カルボン酸メチル
メチル (3R,3aS,4S,5R,7S,7aR)-7-(アセチルオキシ)-3a-ヒドロキシ-3-(ヒドロキシメチル)-1,1,3,5-テトラメチル-オクタヒドロ-1H-インデン-4-カルボキシラート
methyl (3R,3aS,4S,5R,7S,7aR)-7-(acetyloxy)-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-octahydro-1H-indene-4-carboxylate
Other name (3):
(3R,7aα)-Octahydro-7α-acetoxy-3aα-hydroxy-3α-(hydroxymethyl)-1,1,3,5α-tetramethyl-1H-indene-4β-carboxylic acid methyl ester
ボトリオール酸メチル
Methyl botryoloate
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