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Also known as: 3962-66-1, 19-norandrost-5(10)-ene-3,17-dione, 19-nor-5(10)-androstene-3,17-dione, 2bh05a59tg, 19-nor-androst-5(10)-ene-3,17-dione, Oestr-5(10)-ene-3,17-dione
Molecular Formula
C18H24O2
Molecular Weight
272.4  g/mol
InChI Key
RORYLAUXKSWMQL-CBZIJGRNSA-N
FDA UNII
2BH05A59TG

CAS 3962-66-1
1 2D Structure

CAS 3962-66-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
2.1.2 InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1
2.1.3 InChI Key
RORYLAUXKSWMQL-CBZIJGRNSA-N
2.1.4 Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3CCC(=O)C4
2.1.5 Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
2.2 Other Identifiers
2.2.1 UNII
2BH05A59TG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3962-66-1

2. 19-norandrost-5(10)-ene-3,17-dione

3. 19-nor-5(10)-androstene-3,17-dione

4. 2bh05a59tg

5. 19-nor-androst-5(10)-ene-3,17-dione

6. Oestr-5(10)-ene-3,17-dione

7. Einecs 223-564-1

8. Unii-2bh05a59tg

9. Schembl2767885

10. Dtxsid30960224

11. Zinc6067837

12. Mfcd00271641

13. Akos015896290

14. Gs-6093

15. H10480

16. 962n661

17. Q-102803

18. 19-nor-5(10)-androstene-3,17-dione (sex Hormone Intermediate)

19. (1s,10r,11s,15s)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-ene-5,14-dione

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 272.4 g/mol
Molecular Formula C18H24O2
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.177630004 g/mol
Monoisotopic Mass272.177630004 g/mol
Topological Polar Surface Area34.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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