Home Aldehydes (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde

(1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde

CAS No.:
112828-13-4
Catalog Number:
AG008T9Q
Molecular Formula:
C34H60O3Si2
Molecular Weight:
573.0094
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Product Description
Catalog Number:
AG008T9Q
Chemical Name:
(1S,3R,5E,7E)-1,3-Bis-[(tert-butyldiMethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde
CAS Number:
112828-13-4
Molecular Formula:
C34H60O3Si2
Molecular Weight:
573.0094
MDL Number:
MFCD18207199
IUPAC Name:
(2S)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal
InChI:
InChI=1S/C34H60O3Si2/c1-24(23-35)29-18-19-30-26(15-14-20-34(29,30)9)16-17-27-21-28(36-38(10,11)32(3,4)5)22-31(25(27)2)37-39(12,13)33(6,7)8/h16-17,23-24,28-31H,2,14-15,18-22H2,1,3-13H3/b26-16+,27-17+/t24-,28-,29-,30+,31+,34-/m1/s1
InChI Key:
CBBPZOZLUNXNDK-NZAAPPJWSA-N
SMILES:
O=C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C\1/C[C@H](C[C@@H](C1=C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)C
Properties
Complexity:
977  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
2  
Exact Mass:
572.408g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
573.021g/mol
Monoisotopic Mass:
572.408g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties