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114838-69-6 | Cycloprop[f]indene-1a,2(1H)-dicarboxaldehyde, 6-(acetyloxy)-3,4,5,5a,6,6a-hexahydro-5a-hydroxy-4,4,6a-trimethyl-, (1aR,5aR,6R,6aR)-
CAS No: 114838-69-6 Catalog No: AG000FCO MDL No:
Product Description
Catalog Number:
AG000FCO
Chemical Name:
Cycloprop[f]indene-1a,2(1H)-dicarboxaldehyde, 6-(acetyloxy)-3,4,5,5a,6,6a-hexahydro-5a-hydroxy-4,4,6a-trimethyl-, (1aR,5aR,6R,6aR)-
CAS Number:
114838-69-6
Molecular Formula:
C17H22O5
Molecular Weight:
306.3536
IUPAC Name:
[(1aR,2R,2aR,6aR)-6,6a-diformyl-2a-hydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] acetate
InChI:
InChI=1S/C17H22O5/c1-10(20)22-13-15(4)8-16(15,9-19)12(6-18)11-5-14(2,3)7-17(11,13)21/h6,9,13,21H,5,7-8H2,1-4H3/t13-,15+,16+,17-/m1/s1
InChI Key:
RODDDNINLAQFRB-BSWAZPDLSA-N
SMILES:
O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
306.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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