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Chemical structure of 6-ECDCA-d4

GC91564

6-ECDCA-d4

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

6-ECDCA-d4 is intended for use as an internal standard for the quantification of 6-ECDCA by GC- or LC-MS

ChemicalCAS2025364-15-0MW424.7FormulaC26H40D4O4
CAS number
2025364-15-0
Molecular weight
424.7
Formula
C26H40D4O4
Solubility
DMSO： Sparingly Soluble： 1–10 mg/ml,Ethanol： Sparingly Soluble： 1–10 mg/ml
InChIKey
ZXERDUOLZKYMJM-LMUSDRRCSA-N
Catalogue number
GC91564
Brand
GLPBIO
Computed properties PubChem CID 131708814 · XLogP 5.7 · TPSA 77.8 Ų · H-bond donors 3
XLogP
5.7
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

SMILES [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]([C@@H]([C@@H]2C([C@@H]1O)([2H])[2H])CC)O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]

Computed descriptors from PubChem (CID 131708814), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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