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139627-44-4 | Chryseno[3,4-b]oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4,6-dimethyl-, (1R,2S,2aS,3aR)-rel-
CAS No: 139627-44-4 Catalog No: AG001BEU MDL No:
Product Description
Catalog Number:
AG001BEU
Chemical Name:
Chryseno[3,4-b]oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4,6-dimethyl-, (1R,2S,2aS,3aR)-rel-
CAS Number:
139627-44-4
Molecular Formula:
C20H18O3
Molecular Weight:
306.3551
IUPAC Name:
16,19-dimethyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
InChI:
InChI=1S/C20H18O3/c1-9-4-3-5-11-12-6-7-13-16(15(12)10(2)8-14(9)11)19-20(23-19)18(22)17(13)21/h3-8,17-22H,1-2H3
InChI Key:
WJNMOHJPMIXLHU-UHFFFAOYSA-N
SMILES:
OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.361g/mol
Monoisotopic Mass:
306.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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