1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-


Chemical Name: 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-
CAS Number: 17924-92-4
Product Number: AG003VDM(AGN-PC-0QBJ38)
Synonyms:
MDL No:
Molecular Formula: C18H22O5
Molecular Weight: 318.3643

Identification/Properties


Properties
MP:
164-165°C
BP:
600.396°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Refractive Index:
1.6120 (estimate)
Computed Properties
Molecular Weight:
318.369g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
318.147g/mol
Monoisotopic Mass:
318.147g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
445
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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