Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

REF. STANDARDS & IMPURITIES

1 USP , 3 Others

otherSolutions
1 USP
3 Others

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 27-deoxyactein, 264624-38-6, 2d5auv13ax, [(1r,1'r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-1,4',6',12',17',17'-hexamethyl-18'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate, Unii-2d5auv13ax, 26-deoxy-actein

Molecular Formula

C₃₇H₅₆O₁₀

Molecular Weight

660.8 g/mol

InChI Key

GCMGJWLOGKSUGX-RBKCHLQLSA-N

FDA UNII

2D5AUV13AX

26-deoxyactein is a natural product found in Actaea elata, Actaea europaea, and other organisms with data available.

1 2D Structure

UNII-2D5AUV13AX

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1R,1'R,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

2.1.2 InChI

InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1

2.1.3 InChI Key

GCMGJWLOGKSUGX-RBKCHLQLSA-N

2.1.4 Canonical SMILES

CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C

2.1.5 Isomeric SMILES

C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C

2.2 Other Identifiers

2.2.1 UNII

2D5AUV13AX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 26-deoxy-actein

2. 27-deoxyactein

2.3.2 Depositor-Supplied Synonyms

1. 27-deoxyactein

2. 264624-38-6

3. 2d5auv13ax

4. [(1r,1'r,3'r,4s,4'r,5r,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-1,4',6',12',17',17'-hexamethyl-18'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] Acetate

5. Unii-2d5auv13ax

6. 26-deoxy-actein

7. 27-deoxyactein, Hplc Grade

8. Schembl564106

9. Chebi:70242

10. Gcmgjwlogksugx-rbkchlqlsa-

11. Dtxsid20181062

12. Hy-n6264

13. Mfcd07783721

14. Zinc96086358

15. Akos037514979

16. Beta-d-xylopyranoside, (3beta,12beta,16beta,23s,24r,25r)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl

17. Cs-0032801

18. J-016441

19. Q27138580

20. .beta.-d-xylopyranoside, (3.beta.,12.beta.,16.beta.,23s,24r,25r)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₇H₅₆O₁₀
Molecular Weight	660.8 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	660.38734798 g/mol
Monoisotopic Mass	660.38734798 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1360
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1