1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[(8S,9R,10S,13S,14S,17S)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

2.1.2 InChI

InChI=1S/C23H28F2O7/c1-11(26)32-10-19(30)23(31)17(28)8-13-14-7-16(24)15-6-12(27)4-5-20(15,2)22(14,25)18(29)9-21(13,23)3/h4-6,13-14,16-18,28-29,31H,7-10H2,1-3H3/t13-,14-,16?,17?,18?,20-,21-,22-,23-/m0/s1

2.1.3 InChI Key

UFBXNEAKEMBKBR-NEUXUNGYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. [2-[(8s,9r,10s,13s,14s,17s)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

2. 4306-83-6

3. Dtxsid60722014

2.3 Create Date

2012-07-12

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₈F₂O₇
Molecular Weight	454.5 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	121
Heavy Atom Count	32
Formal Charge	0
Complexity	947
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS No 4306-83-6

CAS No 4306-83-6

CHEMISTRY

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