Chem
J-GLOBAL ID:200907093038352391
Nikkaji number:J10.827H
Isocaespitol
イソセスピトール
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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:
C15 H25 Br2 ClO2
Molecular formula furigana:
C15-H25-BR2-CL-O2
Molecular weight:
432.620
InChI:
InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1
InChI key:
OVZBIWJSECOXAT-RWBGOSSDSA-N
SMILES:
CC1(C)O[C@@](C)([C@H](O)C[C@H]1Br)[C@H]1CC[C@@](C)(Br)[C@H](Cl)C1
Systematic name (4):
5β-ブロモ-2α-[(1S,3R,4R)-4-ブロモ-3-クロロ-4-メチルシクロヘキシル]テトラヒドロ-2,6,6-トリメチル-2H-ピラン-3α-オール
(2R)-5β-ブロモ-2-[(1S,3R,4R)-3-クロロ-4-ブロモ-4-メチルシクロヘキシル]テトラヒドロ-2,6,6-トリメチル-2H-ピラン-3α-オール
(2R,3R,5R)-5-ブロモ-2-[(1S,3R,4R)-4-ブロモ-3-クロロ-4-メチルシクロヘキシル]-2,6,6-トリメチルオキサン-3-オール
(2R,3R,5R)-5-bromo-2-[(1S,3R,4R)-4-bromo-3-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-ol
Other name (4):
イソセスピトール
Isocaespitol
5β-Bromo-2α-[(1S,3R,4R)-4-bromo-3-chloro-4-methylcyclohexyl]tetrahydro-2,6,6-trimethyl-2H-pyran-3α-ol
(2R)-5β-Bromo-2-[(1S,3R,4R)-3-chloro-4-bromo-4-methylcyclohexyl]tetrahydro-2,6,6-trimethyl-2H-pyran-3α-ol
CAS registry number:
53915-39-2
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