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Key Documents

809314

Sigma-Aldrich

Tetrahydrocortisol-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):
C21D5H29O5
Molecular Weight:
371.52
EC Number:
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

≥98 atom % D

Quality Level

Assay

≥98% (CP)

form

solution

concentration

100 μg/mL in methanol

technique(s)

mass spectrometry (MS): suitable

mass shift

M+5

storage temp.

−20°C

SMILES string

C[C@@]12[C@@](CCC3C2[C@@H](O)C[C@@]4(C)C3CC[C@]4(O)C(CO)=O)([H])C([2H])([2H])[C@]([2H])(O)C([2H])([2H])C1

InChI

1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14?,15?,16+,18?,19+,20+,21+/m1/s1/i5D2,9D2,13D

InChI key

AODPIQQILQLWGS-TVXJZUOPSA-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 1

Flash Point(F)

49.5 °F

Flash Point(C)

9.7 °C


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