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76377-45-2 | Spiro[cholestane-4,1'-cyclohexane](9CI)
CAS No: 76377-45-2 Catalog No: AG0055KC MDL No:
Product Description
Catalog Number:
AG0055KC
Chemical Name:
Spiro[cholestane-4,1'-cyclohexane](9CI)
CAS Number:
76377-45-2
Molecular Formula:
C32H56
Molecular Weight:
440.7870
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,1'-cyclohexane]
InChI:
InChI=1S/C32H56/c1-23(2)11-9-12-24(3)26-14-15-27-25-13-16-29-31(5,28(25)17-22-30(26,27)4)18-10-21-32(29)19-7-6-8-20-32/h23-29H,6-22H2,1-5H3/t24-,25+,26-,27+,28+,29?,30-,31-/m1/s1
InChI Key:
JFXASYLDVACUOD-NVWHWHMQSA-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)CCCC12CCCCC1)C)C
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
440.438g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.8g/mol
Monoisotopic Mass:
440.438g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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