1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2S,3S,8R,12R,13R,16S,18R)-12-hydroxy-16-methyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one

2.1.2 InChI

InChI=1S/C20H29NO2/c1-11-6-7-15-17(21-11)8-12-10-20(15,23)16-9-18(22)13-4-2-3-5-14(13)19(12)16/h9,11-15,17,19,21,23H,2-8,10H2,1H3/t11-,12-,13+,14+,15+,17+,19-,20+/m0/s1

2.1.3 InChI Key

XDNWMBOYOPJFHT-ZNDRVNLRSA-N

2.2 Create Date

2007-01-03

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₉NO₂
Molecular Weight	315.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	49.3
Heavy Atom Count	23
Formal Charge	0
Complexity	570
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

(1S,2S,3S,8R,12R,13R,16S,18R)-12-hydroxy-16-methyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one

(1S,2S,3S,8R,12R,13R,16S,18R)-12-hydroxy-16-methyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one

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