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147465-96-1 | Spiro[oxazolidine-4,3'-spirostan] (9CI)
CAS No: 147465-96-1 Catalog No: AG001EX6 MDL No:
Product Description
Catalog Number:
AG001EX6
Chemical Name:
Spiro[oxazolidine-4,3'-spirostan] (9CI)
CAS Number:
147465-96-1
Molecular Formula:
C29H47NO3
Molecular Weight:
457.6884
InChI:
InChI=1S/C29H47NO3/c1-18-7-10-29(32-15-18)19(2)25-24(33-29)13-23-21-6-5-20-14-28(16-31-17-30-28)12-11-26(20,3)22(21)8-9-27(23,25)4/h18-25,30H,5-17H2,1-4H3/t18?,19-,20?,21+,22-,23-,24-,25-,26-,27-,28?,29+/m0/s1
InChI Key:
SGEXYTFSPHNDGB-PDOAWSNTSA-N
SMILES:
CC1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CCC3[C@]([C@H]1CC2)(C)CCC1(C3)COCN1)C
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
457.356g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.699g/mol
Monoisotopic Mass:
457.356g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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