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809861

Sigma-Aldrich

Etiocholanolone-2,2,3,4,4-d5 solution

100 μg/mL in methanol, ≥98 atom % D, ≥98% (CP)

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About This Item

Empirical Formula (Hill Notation):
C19D5H25O2
Molecular Weight:
295.47
EC Number:
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

≥98 atom % D

Quality Level

Assay

≥98% (CP)

form

liquid

drug control

regulated under CDSA - not available from Sigma-Aldrich Canada

concentration

100 μg/mL in methanol

technique(s)

mass spectrometry (MS): suitable

mass shift

M+5

storage temp.

−20°C

SMILES string

O=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@]([2H])(O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@@]21C

InChI

1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1/i7D2,11D2,13D

InChI key

QGXBDMJGAMFCBF-JHABVYBQSA-N

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F

Flash Point(C)

9.7 °C


Certificates of Analysis (COA)

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