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Acetylisomerulidial
[CAS# 121843-90-1]

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CAS#: 121843-90-1
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Identification
Name Acetylisomerulidial
Synonyms Ccris 2853
Molecular Structure CAS#: 121843-90-1, Acetylisomerulidial
Molecular Formula C17H22O4
Molecular Weight 290.36
CAS Registry Number 121843-90-1
SMILES [C@]13([C@@]([C@@H](OC(=O)C)[C@H]2C(=C1C=O)CC(C2)(C)C)(C3)C)C=O
InChI 1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16-,17-/m1/s1
InChIKey MJXHKPSYLUUZDJ-JWZBEHFJSA-N
Properties
Density 1.184g/cm3 (Cal.)
Boiling point 386.188°C at 760 mmHg (Cal.)
Flash point 168.274°C (Cal.)
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