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71030-11-0

71030-11-0 | 1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7S,11E)-

CAS No: 71030-11-0 Catalog No: AG005EW6 MDL No:

Product Description

Catalog Number:
AG005EW6
Chemical Name:
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7S,11E)-
CAS Number:
71030-11-0
Molecular Formula:
C18H24O5
Molecular Weight:
320.3802
IUPAC Name:
(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
InChI:
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1
InChI Key:
FPQFYIAXQDXNOR-PMRAARRBSA-N
SMILES:
O[C@H]1CCC/C=C/c2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O
UNII:
35E809PP7O

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
320.162g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
320.385g/mol
Monoisotopic Mass:
320.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Literature

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