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719544

Estrone-2,3,4-¹³C₃

Name: Estrone-2,3,4-<SUP>13</SUP>C<SUB>3</SUB>
Brand: ALDRICH

99 atom % ¹³C, 98% (CP)

Synonym(s):

1,3,5(10)-Estratrien-3-ol-17-one-¹³C₃, 3-Hydroxy-1,3,5(10)-estratrien-17-one-¹³C₃

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About This Item

Empirical Formula (Hill Notation):

¹³C₃C₁₅H₂₂O₂

CAS Number:

1241684-29-6

Molecular Weight:

273.34

NACRES:

NA.24

PubChem Substance ID:

329763658

UNSPSC Code:

41116107

MDL number:

MFCD15144880

Isotopic purity:

99 atom % ¹³C

Assay:

98% (CP)

Mass shift:

M+3

Form:

powder

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Properties

isotopic purity

99 atom % ¹³C

Quality Segment

200

assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

258-260 °C (lit.)

mass shift

M+3

storage temp.

−20°C

SMILES string

O[13C]1=[13CH]C=C2C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)=[13CH]1

InChI

1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1

InChI key

DNXHEGUUPJUMQT-JTCDCFKFSA-N

Description

pictograms

GHS08

signalword

Danger

hcodes

H350,H360

pcodes

P201 - P308 + P313

Hazard Classifications

Carc. 1B - Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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