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Home >> Chemical Listing >> Page 2229 >> 1,3,5(10)-Estratrien-3,11-beta-Diol-17-One

1,3,5(10)-Estratrien-3,11-beta-Diol-17-One
[CAS# 6803-21-0]

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Identification
Name 1,3,5(10)-Estratrien-3,11-beta-Diol-17-One
Synonyms Mls000703729; Smr000274094; Eu-0074111
Molecular Structure CAS#: 6803-21-0, 1,3,5(10)-Estratrien-3,11-beta-Diol-17-One
Molecular Formula C18H22O3
Molecular Weight 286.37
CAS Registry Number 6803-21-0
SMILES C1=CC(=CC4=C1C3C(C2C(C(=O)CC2)(C)CC3O)CC4)O
InChI 1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3
InChIKey IGSYRIQHXYIOHU-UHFFFAOYSA-N
Properties
Density 1.25g/cm3 (Cal.)
Boiling point 493.175°C at 760 mmHg (Cal.)
Flash point 266.162°C (Cal.)
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