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1414455-03-0 | Benzo[b]cycloundeca[e]pyran-2,4-dicarboxaldehyde, 5a,6,9,10,13,14,14a,15-octahydro-1,3-dihydroxy-5a,9,9,12-tetramethyl-15-phenyl-, (5aR,7E,11E,14aS,15R)-rel-
CAS No: 1414455-03-0 Catalog No: AG001GDJ MDL No:MFCD28100645
Product Description
Catalog Number:
AG001GDJ
Chemical Name:
Benzo[b]cycloundeca[e]pyran-2,4-dicarboxaldehyde, 5a,6,9,10,13,14,14a,15-octahydro-1,3-dihydroxy-5a,9,9,12-tetramethyl-15-phenyl-, (5aR,7E,11E,14aS,15R)-rel-
CAS Number:
1414455-03-0
Molecular Formula:
C30H34O5
Molecular Weight:
474.5880
MDL Number:
MFCD28100645
IUPAC Name:
(1R,4E,8E,11S,19S)-15,17-dihydroxy-4,7,7,11-tetramethyl-19-phenyl-12-oxatricyclo[9.8.0.013,18]nonadeca-4,8,13,15,17-pentaene-14,16-dicarbaldehyde
InChI:
InChI=1S/C30H34O5/c1-19-11-12-23-24(20-9-6-5-7-10-20)25-27(34)21(17-31)26(33)22(18-32)28(25)35-30(23,4)15-8-14-29(2,3)16-13-19/h5-10,13-14,17-18,23-24,33-34H,11-12,15-16H2,1-4H3/b14-8+,19-13+/t23-,24-,30+/m1/s1
InChI Key:
SCJBVAONMYLOHE-LUGVMUTJSA-N
SMILES:
O=Cc1c2O[C@]3(C)C/C=C/C(C)(C)C/C=C(/CC[C@H]3[C@@H](c2c(c(c1O)C=O)O)c1ccccc1)\C
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
2
Exact Mass:
474.241g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.597g/mol
Monoisotopic Mass:
474.241g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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