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4,4-[(3,20-Dioxopregn-4-Ene-14,17-Diyl)Dioxy]Butyric Acid
[CAS# 23655-69-8]

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CAS#: 23655-69-8
Product: 4,4-[(3,20-Dioxopregn-4-Ene-14,17-Diyl)Dioxy]Butyric Acid
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Identification
Name 4,4-[(3,20-Dioxopregn-4-Ene-14,17-Diyl)Dioxy]Butyric Acid
Molecular Structure CAS#: 23655-69-8, 4,4-[(3,20-Dioxopregn-4-Ene-14,17-Diyl)Dioxy]Butyric Acid
Molecular Formula C25H34O6
Molecular Weight 430.54
CAS Registry Number 23655-69-8
EINECS 245-809-1
SMILES [C@@]15(C2(OC(O[C@@]1(CC2)C(=O)C)CCC(=O)O)C4C([C@@]3(C(=CC(=O)CC3)CC4)C)CC5)C
InChI 1S/C25H34O6/c1-15(26)24-12-13-25(31-21(30-24)7-6-20(28)29)19-5-4-16-14-17(27)8-10-22(16,2)18(19)9-11-23(24,25)3/h14,18-19,21H,4-13H2,1-3H3,(H,28,29)/t18?,19?,21?,22-,23+,24-,25?/m0/s1
InChIKey AXWLQRRFZXEYQQ-ZSCVXFOJSA-N
Properties
Density 1.262g/cm3 (Cal.)
Boiling point 589.017°C at 760 mmHg (Cal.)
Flash point 197.56°C (Cal.)
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