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3,7,12-Trihydroxycholan-24-oic acid - acetic acid (1:1)

ChemSpider ID: 277044
Molecular Formula: C₂₆H₄₄O₇
Average mass: 468.623413 Da
Monoisotopic mass: 468.308716 Da
Systematic name

3,7,12-Trihydroxycholan-24-oic acid - acetic acid (1:1)
SMILES and InChIs

SMILES:

O=C(O)C.O=C(O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C Copied

Std. InChI:

InChI=1S/C24H40O5.C2H4O2/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-2(3)4/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);1H3,(H,3,4) Copied

Std. InChIKey:

MGJZHOXTHBXIQF-UHFFFAOYSA-N Copied
Cite this record
CSID:277044, http://www.chemspider.com/Chemical-Structure.277044.html (accessed 02:11, Jun 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

NSC226816 [DBID]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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