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(3alpha,5beta,7alpha,8xi,17xi)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid
[CAS# 99102-69-9]

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Identification
Name (3alpha,5beta,7alpha,8xi,17xi)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid
Synonyms Chenodiol-d4
Molecular Structure CAS#: 99102-69-9, (3alpha,5beta,7alpha,8xi,17xi)-3,7-Dihydroxy(2,2,4,4-<sup>2</sup>H<sub>4</sub>)cholan-24-oic acid
Molecular Formula C24H36D4O4
Molecular Weight 396.60
CAS Registry Number 99102-69-9
SMILES [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H](C3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CCC4[C@H](C)CCC(=O)O)C)C)[2H]
InChI 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17?,18+,19+,20-,22?,23+,24-/m1/s1/i8D2,12D2
InChIKey RUDATBOHQWOJDD-IKDPWGSDSA-N
Properties
Density 1.14g/cm3 (Cal.)
Boiling point 547.148°C at 760 mmHg (Cal.)
Flash point 298.768°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for (3alpha,5beta,7alpha,8xi,17xi)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid
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