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Molecule structure of Hymenovin (CAS NO.57074-51-8) :
Molecular Weight: 282.33218 g/mol
Molecular Formula: C15H22O5
Density: 1.26 g/cm3
Boiling Point: 487.9 °C at 760 mmHg
Flash Point: 182.5 °C
Index of Refraction: 1.553
Molar Refractivity: 71.45 cm3
Molar Volume: 223.1 cm3
Polarizability: 28.32×10-24 cm3
Surface Tension: 49.4 dyne/cm
Enthalpy of Vaporization: 86.86 kJ/mol
Vapour Pressure: 1.45E-11 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Exact Mass: 282.146724
MonoIsotopic Mass: 282.146724
Topological Polar Surface Area: 76
Heavy Atom Count: 20
Complexity: 448
Undefined Atom StereoCenter Count: 7
Canonical SMILES: CC1CC2C(CC3(C1CC(OC3O)O)C)C(=C)C(=O)O2
InChI: InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3
InChIKey of Hymenovin (CAS NO.57074-51-8) : PYINVOHSOZSEPB-UHFFFAOYSA-N
1. | mmo-sat 350 µmol/plate | TXAPA9 Toxicology and Applied Pharmacology. 45 (1978),629. | ||
2. | mma-sat 3 µg/plate | FCTXAV Food and Cosmetics Toxicology. 15 (1977),225. |
Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
Hymenovin (CAS NO.57074-51-8) is also called 5,7-Dihydroxy-4a,9-dimethyl-3-methylenedecahydrofuro(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-one ; HSDB 3494 ; Furo(2',3':5,6)cyclohepta(1,2-c)pyran-2(3H)-one, decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylene- .