Dalian Richon Chem

CAS 1516887-33-4

Chemistry, 4 End Use API, 13 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 1516887-33-4, (e)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic acid, (4r)-4-[(3r,5r,6e,8s,9s,10r,13r,14s,17r)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid, (3alpha,5beta,6e)-6-ethylidene-3-hydroxy-7-oxocholan-24-oic acid, Schembl17445150, Amy39028

Molecular Formula

C₂₆H₄₀O₄

Molecular Weight

416.6 g/mol

InChI Key

RDCBMNFSJFALPG-VRYJCBLKSA-N

1 2D Structure

CAS 1516887-33-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-4-[(3R,5R,6E,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

2.1.2 InChI

InChI=1S/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1

2.1.3 InChI Key

RDCBMNFSJFALPG-VRYJCBLKSA-N

2.1.4 Canonical SMILES

CC=C1C2CC(CCC2(C3CCC4(C(C3C1=O)CCC4C(C)CCC(=O)O)C)C)O

2.1.5 Isomeric SMILES

C/C=C/1\[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1516887-33-4

2. (e)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid

3. (4r)-4-[(3r,5r,6e,8s,9s,10r,13r,14s,17r)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic Acid

4. (3alpha,5beta,6e)-6-ethylidene-3-hydroxy-7-oxocholan-24-oic Acid

5. Schembl17445150

6. Amy39028

7. Mfcd28411244

8. Zinc139235351

9. Ds-9964

10. (r)-4-((3r5r8s9s10r13r14s17re)-6-ethylidene-3-hydroxy-1013-dimethyl-7-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic Acid

11. F11527

12. A854863

13. E-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid

14. (r)-4-((3r,5r,8s,9s,10r,13r,14s,17r,e)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoicacid

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₄₀O₄
Molecular Weight	416.6 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	416.29265975 g/mol
Monoisotopic Mass	416.29265975 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

China

Virtual Booth

Digital Content

Obeticholic Acid

PDF Supplier PDF

URL Supplier Web Content

CAS Number

1516887-33-4

Intermediate Name

(E)-3?-hydroxy-6-ethylidene-7-keto-...

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

ASK
US