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7377-73-3

7377-73-3 | 4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

CAS No: 7377-73-3 Catalog No: AG005BCY MDL No:

Product Description

Catalog Number:
AG005BCY
Chemical Name:
4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Number:
7377-73-3
Molecular Formula:
C28H44O
Molecular Weight:
396.6484
IUPAC Name:
4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3
InChI Key:
DBPZYKHQDWKORQ-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C1CCC2C1(C)CCC1=C2CCC2C1(C)CCC(=O)C2C)C)C

Properties

Complexity:
723  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.339g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.659g/mol
Monoisotopic Mass:
396.339g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
7  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  

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