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173357-22-7 | 4H-Phenanthro[1,2-c]pyran-4,8(6H)-dione, 5,6a,7,9,10,10a-hexahydro-11-hydroxy-12-methoxy-7,7,10a-trimethyl-, (6aR,10aS)-
CAS No: 173357-22-7 Catalog No: AG001YTO MDL No:
Product Description
Catalog Number:
AG001YTO
Chemical Name:
4H-Phenanthro[1,2-c]pyran-4,8(6H)-dione, 5,6a,7,9,10,10a-hexahydro-11-hydroxy-12-methoxy-7,7,10a-trimethyl-, (6aR,10aS)-
CAS Number:
173357-22-7
Molecular Formula:
C21H24O5
Molecular Weight:
356.4123
IUPAC Name:
(6aR,10aS)-11-hydroxy-12-methoxy-7,7,10a-trimethyl-6,6a,9,10-tetrahydro-5H-naphtho[1,2-h]isochromene-4,8-dione
InChI:
InChI=1S/C21H24O5/c1-20(2)13-6-5-11-15-12(8-10-26-19(15)24)18(25-4)17(23)16(11)21(13,3)9-7-14(20)22/h8,10,13,23H,5-7,9H2,1-4H3/t13-,21-/m0/s1
InChI Key:
DZAIPEFYJZKDHX-ZSEKCTLFSA-N
SMILES:
COc1c(O)c2c(c3c1ccoc3=O)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
356.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.418g/mol
Monoisotopic Mass:
356.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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