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Chemical structure of Pregnanetriol-d4

GC75275

Pregnanetriol-d4

Also known as (3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1,2,2,2-tetradeuterio-1-hydroxyethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

Pregnanetriol-d4 is the deuterium labeled Pregnanetriol

ChemicalCAS2687960-83-2MW340.53FormulaC21H32D4O3
CAS number
2687960-83-2
Molecular weight
340.53
Formula
C21H32D4O3
InChIKey
SCPADBBISMMJAW-QQGSCTBASA-N
Catalogue number
GC75275
Brand
GLPBIO
Computed properties PubChem CID 162641353 · XLogP 3.8 · TPSA 60.7 Ų · H-bond donors 3
XLogP
3.8
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24

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

Computed descriptors from PubChem (CID 162641353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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