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9alpha-Hydroxyacetylmerulidial
[CAS# 114838-69-6]

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Identification
Name 9alpha-Hydroxyacetylmerulidial
Synonyms 9Alpha-Hydroxyacetylmerulidial
Molecular Structure CAS#: 114838-69-6, 9alpha-Hydroxyacetylmerulidial
Molecular Formula C17H22O5
Molecular Weight 306.36
CAS Registry Number 114838-69-6
SMILES [C@@]13([C@]([C@@H](OC(=O)C)[C@]2(O)C(=C1C=O)CC(C2)(C)C)(C3)C)C=O
InChI 1S/C17H22O5/c1-10(20)22-13-15(4)8-16(15,9-19)12(6-18)11-5-14(2,3)7-17(11,13)21/h6,9,13,21H,5,7-8H2,1-4H3/t13-,15+,16+,17-/m1/s1
InChIKey RODDDNINLAQFRB-BSWAZPDLSA-N
Properties
Density 1.264g/cm3 (Cal.)
Boiling point 417.942°C at 760 mmHg (Cal.)
Flash point 147.483°C (Cal.)
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