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Chemical structure of 3α,7α-Dihydroxycoprostanic acid-d3

GC70356

3α,7α-Dihydroxycoprostanic acid-d3

Also known as (6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(trideuteriomethyl)heptanoic acid

3α,7α-Dihydroxycoprostanic acid-d3is the deuterium labeled3α,7α-Dihydroxycoprostanic acid

ChemicalCAS338976-76-4MW437.67FormulaC27H43D3O4
CAS number
338976-76-4
Molecular weight
437.67
Formula
C27H43D3O4
InChIKey
ITZYGDKGRKKBSN-WNOXKDKUSA-N
Catalogue number
GC70356
Brand
GLPBIO
Computed properties PubChem CID 168476097 · XLogP 6.6 · TPSA 77.8 Ų · H-bond donors 3
XLogP
6.6
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

SMILES [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)C(=O)O

Computed descriptors from PubChem (CID 168476097), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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