CAS 88247-84-1

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

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1 Suppliers

Also known as: 88247-84-1, 7alpha-methyl-3,3-dimethoxy-5(10)-estrene-17-one, (7r,8r,9s,13s,14s)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, 7 a-methyl-3,3-dimethoxy-5(10)-estrene-17-one, 7a -methyl-3,3-dimethoxy-5(10)-estrene-17-one, Schembl1221866

Molecular Formula

C₂₁H₃₂O₃

Molecular Weight

332.5 g/mol

InChI Key

RKALVZFWSBYRNC-HIHRSEIJSA-N

1 2D Structure

CAS 88247-84-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

2.1.2 InChI

InChI=1S/C21H32O3/c1-13-11-14-12-21(23-3,24-4)10-8-15(14)16-7-9-20(2)17(19(13)16)5-6-18(20)22/h13,16-17,19H,5-12H2,1-4H3/t13-,16-,17+,19-,20+/m1/s1

2.1.3 InChI Key

RKALVZFWSBYRNC-HIHRSEIJSA-N

2.1.4 Canonical SMILES

CC1CC2=C(CCC(C2)(OC)OC)C3C1C4CCC(=O)C4(CC3)C

2.1.5 Isomeric SMILES

C[C@@H]1CC2=C(CCC(C2)(OC)OC)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88247-84-1

2. 7alpha-methyl-3,3-dimethoxy-5(10)-estrene-17-one

3. (7r,8r,9s,13s,14s)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

4. 7 A-methyl-3,3-dimethoxy-5(10)-estrene-17-one

5. 7a -methyl-3,3-dimethoxy-5(10)-estrene-17-one

6. Schembl1221866

7. Dtxsid50572202

8. Mfcd08063855

9. Zinc26892511

10. Akos015896692

11. Ac-32557

12. 247m841

13. Q-102809

14. (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one

15. 7-alpha-methyl-3,3-dimethoxy -5(10)-estrene-17-one

16. 7

17. A Inverted Exclamation Mark-methyl-3,3-dimethoxy-5(10)-estrene-17-one

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₂O₃
Molecular Weight	332.5 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	332.23514488 g/mol
Monoisotopic Mass	332.23514488 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	574
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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

88247-84-1

Intermediate Name

7a-methyl-3,3- dimethoxy-5(10) -es...

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

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