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3-Hydroxy-Estra-1,3,5(10),6-tetraen-17-one
[CAS# 2208-12-0]

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Identification
Name 3-Hydroxy-Estra-1,3,5(10),6-tetraen-17-one
Synonyms 1,3,5(10),6-Estratetraen-3Beta-Ol-17-One; .Delta.6,7-Estrone; .Delta.6-Estrone
Molecular Structure CAS#: 2208-12-0, 3-Hydroxy-Estra-1,3,5(10),6-tetraen-17-one
Molecular Formula C18H20O2
Molecular Weight 268.35
CAS Registry Number 2208-12-0
SMILES [C@H]34[C@H]2[C@@H](C1=C(C=C(O)C=C1)C=C2)CC[C@@]3(C(=O)CC4)C
InChI 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey WTRRIQCGCGCMQA-CBZIJGRNSA-N
Properties
Density 1.19g/cm3 (Cal.)
Boiling point 454.714°C at 760 mmHg (Cal.)
Flash point 193.638°C (Cal.)
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