Basic information
- Name:
19-Norandrost-5(10)-ene-3,17-dione
- CAS No.:
3962-66-1
- Molecular Structure:
- Formula:
- C18H24O2
- Molecular Weight:
- 272.38
- Synonyms:
- Estr-5(10)-ene-3,17-dione;
- EINECS:
- 223-564-1
- Density:
- 1.13 g/cm3
- Boiling Point:
- 427.5 °C at 760 mmHg
- Flash Point:
- 159.7 °C
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Chemistry
Molecule structure of 19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1):
IUPAC Name: (8R,9S,13S,14S)-13-Methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Weight: 272.38196 g/mol
Molecular Formula: C18H24O2
Density: 1.13 g/cm3
Boiling Point: 427.5 °C at 760 mmHg
Flash Point: 159.7 °C
Index of Refraction: 1.555
Molar Refractivity: 76.85 cm3
Molar Volume: 239 cm3
Surface Tension: 43.4 dyne/cm
Enthalpy of Vaporization: 68.25 kJ/mol
Vapour Pressure: 1.63E-07 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 2
Tautomer Count: 16
Exact Mass: 272.17763
MonoIsotopic Mass: 272.17763
Topological Polar Surface Area: 34.1
Heavy Atom Count: 20
Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3CCC(=O)C4
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey: RORYLAUXKSWMQL-CBZIJGRNSA-N
EINECS: 223-564-1
Product Categories: Steroids
Uses
19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1) is used in pharmaceutical synthesis.
Specification
19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1) is also named as Oestr-5(10)-ene-3,17-dione .
