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156383-09-4 | 5a,15-Methano-5aH-benzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one, 3-(dimethylamino)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-6-hydroxy-6-(1-propynyl)-, [5aR-(5aα,6β,8aα,8bβ,14aβ,14bα,15α)]- (9CI)
CAS No: 156383-09-4 Catalog No: AG001OOT MDL No:
Product Description
Catalog Number:
AG001OOT
Chemical Name:
5a,15-Methano-5aH-benzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one, 3-(dimethylamino)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-6-hydroxy-6-(1-propynyl)-, [5aR-(5aα,6β,8aα,8bβ,14aβ,14bα,15α)]- (9CI)
CAS Number:
156383-09-4
IUPAC Name:
(2S,5S,6R,14R,15S,16R)-20-(dimethylamino)-2-hydroxy-2-prop-1-ynylhexacyclo[14.7.1.01,5.06,15.09,14.017,22]tetracosa-9,17(22),18,20-tetraen-11-one
InChI:
InChI=1S/C29H35NO2/c1-4-12-29(32)13-11-26-24-8-5-18-15-21(31)7-10-23(18)27(24)25-17-28(26,29)16-19-14-20(30(2)3)6-9-22(19)25/h6,9,14-15,23-27,32H,5,7-8,10-11,13,16-17H2,1-3H3/t23-,24-,25-,26-,27+,28?,29-/m0/s1
InChI Key:
QXJZBUFGFSWMLW-AOGGWWGWSA-N
Properties
Complexity:
907
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
429.267g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.604g/mol
Monoisotopic Mass:
429.267g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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