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Key Documents

809845

Sigma-Aldrich

Pregnenolone-2,2,4,4-d4

≥98 atom % D, ≥95% (CP)

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About This Item

Empirical Formula (Hill Notation):
C21D4H28O2
Molecular Weight:
320.50
UNSPSC Code:
12352211
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

≥98 atom % D

Quality Level

assay

≥95% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mass shift

M+4

storage temp.

−20°C

SMILES string

O=C(C)[C@H]1CCC2C3CC=C4C([2H])([2H])[C@@H](O)C([2H])([2H])C[C@]4(C)C3CC[C@@]21C

InChI

1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16?,17+,18?,19?,20-,21+/m0/s1/i8D2,12D2

InChI key

ORNBQBCIOKFOEO-JHAWGCOXSA-N

Related Categories

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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