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17904-55-1 | A'-Neo-26,28-dinorgammacer-9(11)-ene, 3-methoxy-13,17-dimethyl-, (3β,21β)-
CAS No: 17904-55-1 Catalog No: AG0026QF MDL No:
Product Description
Catalog Number:
AG0026QF
Chemical Name:
A'-Neo-26,28-dinorgammacer-9(11)-ene, 3-methoxy-13,17-dimethyl-, (3β,21β)-
CAS Number:
17904-55-1
IUPAC Name:
(3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
InChI:
InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1
InChI Key:
MRNPHCMRIQYRFU-UWAWSDATSA-N
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
440.402g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.756g/mol
Monoisotopic Mass:
440.402g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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