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Home >> Chemical Listing >> Page 75 >> Methyl 3,7-Dihydroxycholan-24-Oate

Methyl 3,7-Dihydroxycholan-24-Oate
[CAS# 10538-55-3]

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Identification
Name Methyl 3,7-Dihydroxycholan-24-Oate
Synonyms 5α-Cholan-24-oic acid, 3α,7α-dihydroxy-, methyl ester; 5α-Cholan-24-oic acid, 3β,7α-dihydroxy-, methyl ester
Molecular Structure CAS#: 10538-55-3, Methyl 3,7-Dihydroxycholan-24-Oate
Molecular Formula C25H42O4
Molecular Weight 406.60
CAS Registry Number 10538-55-3
SMILES O=C(OC)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
InChI 1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3
InChIKey GRQROVWZGGDYSW-UHFFFAOYSA-N
Properties
Density 1.089g/cm3 (Cal.)
Boiling point 507.571°C at 760 mmHg (Cal.)
Flash point 162.13°C (Cal.)
Refractive index 1.526 (Cal.)
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