Green Stone Swiss Co Ltd | Estradiene dione-3-keta | End Use API | Intermediate

Estradiene dione-3-keta

Chemistry, 2 End Use API, 5 Related Intermediates

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Also known as: 5571-36-8, Estra-5(10),9(11)-diene-3,17-dione 3-ethylene ketal, (8s,13s,14s)-13-methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4h)-one, (8s,13s,14s)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one, 3-ethylene dioxy-17-oxo-13-methyl estra-5(10)9(11)-diene, Spiro[1,3-dioxolan-2,3'-estra-5'(10'),9'(11')-dien]-17'-one

Molecular Formula

C₂₀H₂₆O₃

Molecular Weight

314.4 g/mol

InChI Key

XUOQKQRMICQUQC-AOIWGVFYSA-N

1 2D Structure

Estradiene dione-3-keta

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one

2.1.2 InChI

InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1

2.1.3 InChI Key

XUOQKQRMICQUQC-AOIWGVFYSA-N

2.1.4 Canonical SMILES

CC12CC=C3C(C1CCC2=O)CCC4=C3CCC5(C4)OCCO5

2.1.5 Isomeric SMILES

C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5571-36-8

2. Estra-5(10),9(11)-diene-3,17-dione 3-ethylene Ketal

3. (8s,13s,14s)-13-methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4h)-one

4. (8s,13s,14s)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one

5. 3-ethylene Dioxy-17-oxo-13-methyl Estra-5(10)9(11)-diene

6. Spiro[1,3-dioxolan-2,3'-estra-5'(10'),9'(11')-dien]-17'-one

7. Mfcd08062585

8. 3-ethylene Dioxy-17-oxo Estra-5(10), 9(11)-diene

9. Cyclic 3-(1,2-ethanediylacetale)-estra-5(10),9(11)-diene-3,17-dione

10. Ec 427-230-8

11. Schembl1173789

12. 3,3-(ethylenedioxy)estra-5(10),9(11)-dien-17-one

13. Dtxsid30427741

14. Bcp13464

15. Zinc4026276

16. Stl556506

17. Akos015840140

18. Akos016011499

19. Cs-w007969

20. Gs-3157

21. (8s,13s,14s)-13-methyl-1,4,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2h)-one

22. Ac-28722

23. E0918

24. 571e368

25. A870115

26. Q-102805

27. 3,3-ethylenedioxyestra-5(10), 9(11)-dien-17-one

28. 3,3-ethylenedioxyestra-5(10),9(11)-diene-17-one

29. 3-ethylenedioxy-estra-5(10), 9(11)-dien-17-one

30. Q63395993

31. 3,3-(ethylenedioxy)estra-5(10),9(11)-diene-17-one

32. 3,3-ethylenedioxy-estra-5(10),9(11)-diene-17-one

33. 3-ethylene Dioxy-17-oxo Estra-5 (10), 9(11)-diene

34. Cyclic 3-(1,2-ethanediyl Acetal) Estra-5(10),9(11)-diene-3,17-dione

35. (10's,11's,15's)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0?,?.0??,??]heptadecane]-1'(17'),2'(7')-dien-14'-one

36. (10's,11's,15's)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-1'(17'),2'(7')-dien-14'-one

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆O₃
Molecular Weight	314.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	314.18819469 g/mol
Monoisotopic Mass	314.18819469 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	623
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

5571-36-8

Intermediate Name

3-ethylenedioxy-estra-5(10),9(11)-d...

About the Company

Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and prov...

Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and provide customized products/OEM/ODM. We signed technical cooperation agreements with 7 Universities of Europe, USA and China, equipped with a set of advanced production and testing equipment to ensure product quality. Our manufactures Factory has first-class production equipment and strict quality management system, which covers an area of 6000 square meters, packing workshop covers 1800 square meters, laboratory covers 260 square meters, building area of 1600 square meters.

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