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Home > Other Heterocycles > 127334-23-0
127334-23-0 | Spiro[cholestane-2,1'-cyclopropane] (9CI)
CAS No: 127334-23-0 Catalog No: AG000WX0 MDL No:
Product Description
Catalog Number:
AG000WX0
Chemical Name:
Spiro[cholestane-2,1'-cyclopropane] (9CI)
CAS Number:
127334-23-0
Molecular Formula:
C29H50
Molecular Weight:
398.7073
IUPAC Name:
10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,1'-cyclopropane]
InChI:
InChI=1S/C29H50/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-13-16-29(17-18-29)19-28(22,5)26(23)14-15-27(24,25)4/h20-26H,6-19H2,1-5H3
InChI Key:
DDDOXJKZJYWWQE-UHFFFAOYSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC1(CC2)CC1)C)C
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.391g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.719g/mol
Monoisotopic Mass:
398.391g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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