Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
CAS Registry Number®
52840-14-9
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CAS Name
Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-Molecular Formula
C24H35D5O4Cite this Page
Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52840-14-9 (retrieved ) (CAS RN: 52840-14-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2,16D
InChIKey
InChIKey=KXGVEGMKQFWNSR-ANCDPKSQSA-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(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)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-, (3α,5β,12α)-
