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27548-88-5 | Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1α,5α)-
CAS No: 27548-88-5 Catalog No: AG002U1D MDL No:
Product Description
Catalog Number:
AG002U1D
Chemical Name:
Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1α,5α)-
CAS Number:
27548-88-5
IUPAC Name:
(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
InChI:
InChI=1S/C20H28O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-16,21-23H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14+,15+,16+,19?,20-/m0/s1
InChI Key:
GVECAQZXEMZIGZ-OXUJBKPGSA-N
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
364.189g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.438g/mol
Monoisotopic Mass:
364.189g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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