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Home >> Chemical Listing >> Page 2410 >> (16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one

(16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one
[CAS# 7323-86-6]

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Identification
Name (16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one
Synonyms 6-KETOESTRIOL
Molecular Structure CAS#: 7323-86-6, (16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one
Molecular Formula C18H22O4
Molecular Weight 302.36
CAS Registry Number 7323-86-6
SMILES O=C3c1cc(O)ccc1[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2C3)C
InChI 1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1
InChIKey PYFIDTBVOMQKDC-XCYHEEQWSA-N
Properties
Density 1.337g/cm3 (Cal.)
Boiling point 502.16°C at 760 mmHg (Cal.)
Flash point 271.591°C (Cal.)
Market Analysis Reports
List of Reports Available for (16alpha,17beta)-3,16,17-Trihydroxyestra-1,3,5(10)-trien-6-one
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