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127350-58-7 | 3H-Cyclopropa[7,8]phenanthro[3,2-b]furan-3-one, 1,1a,5,6,8b,9,10,10a-octahydro-2,4,8-trihydroxy-1a,6,8b-trimethyl-, (1aR,6S,8bR,10aS)-
CAS No: 127350-58-7 Catalog No: AG000WXW MDL No:
Product Description
Catalog Number:
AG000WXW
Chemical Name:
3H-Cyclopropa[7,8]phenanthro[3,2-b]furan-3-one, 1,1a,5,6,8b,9,10,10a-octahydro-2,4,8-trihydroxy-1a,6,8b-trimethyl-, (1aR,6S,8bR,10aS)-
CAS Number:
127350-58-7
Molecular Formula:
C20H22O5
Molecular Weight:
342.3857
IUPAC Name:
9,12,18-trihydroxy-2,7,15-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadeca-1(11),8,12,17-tetraen-10-one
InChI:
InChI=1S/C20H22O5/c1-8-6-10-13(21)11-12(15(23)17(10)25-8)19(2)5-4-9-7-20(9,3)18(19)16(24)14(11)22/h8-9,21,23-24H,4-7H2,1-3H3
InChI Key:
BHZINWNKPSPIIT-UHFFFAOYSA-N
SMILES:
C[C@H]1Cc2c(O1)c(O)c1c(c2O)C(=O)C(=C2[C@]1(C)CC[C@@H]1[C@@]2(C)C1)O
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.391g/mol
Monoisotopic Mass:
342.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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