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613967

Sigma-Aldrich

17β-Estradiol-2,4,16,16,17-d5

97 atom % D, 99% (CP)

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About This Item

Empirical Formula (Hill Notation):
C18D5H19O2
CAS Number:
221093-45-4
Molecular Weight:
277.41
MDL number:
MFCD01075456
UNSPSC Code:
12352002
PubChem Substance ID:
329759473

isotopic purity

97 atom % D

Assay

99% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

178-179 °C (lit.)

mass shift

M+5

SMILES string

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@]4([2H])O)[C@@H]3CCc2c([2H])c1O

InChI

1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D

InChI key

VOXZDWNPVJITMN-MOKSCAJFSA-N

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