Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-
CAS Registry Number®
93701-19-0
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CAS Name
Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-Molecular Formula
C25H37D5O4Cite this Page
Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=93701-19-0 (retrieved ) (CAS RN: 93701-19-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i9D2,13D2,17D
InChIKey
InChIKey=GRQROVWZGGDYSW-IMKCYHQTSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C([C@](O)(C(C4)([2H])[2H])[2H])([2H])[2H])[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-
