Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-
CAS Registry Number®
52840-15-0
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CAS Name
Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-Molecular Formula
C25H37D5O4Cite this Page
Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52840-15-0 (retrieved ) (CAS RN: 52840-15-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1/i11D2,13D2,17D
InChIKey
InChIKey=ZHUOOEGSSFNTNP-ZEFXEABFSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C([C@](O)(C(C4)([2H])[2H])[2H])([2H])[2H])[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-
