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K1001

β-Estradiol-6-one

Synonym(s):

1,3,5-Estratriene-3,17β-diol-6-one, 3,17β-Dihydroxy-1,3,5(10)-estratrien-6-one, 6-Ketoestradiol

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About This Item

Empirical Formula (Hill Notation):
C18H22O3
CAS Number:
571-92-6
Molecular Weight:
286.37
UNSPSC Code:
12352200
NACRES:
NA.77
PubChem Substance ID:
329817122
MDL number:
MFCD00056457
Beilstein/REAXYS Number:
3208779
Assay:
≥98.00% (TLC)
Form:
powder
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biological source

synthetic (organic)

Quality Segment

assay

≥98.00% (TLC)

form

powder

solubility

chloroform: methanol (1:1): 19.60-20.40 mg/mL, clear, colorless to faintly yellow

shipped in

ambient

storage temp.

room temp

SMILES string

C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O

InChI

1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1

InChI key

ZHTDDOWJIRXOMA-YVEZLPLXSA-N

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Gloves, type N95 (US)

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