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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 78214-33-2, 20(s)-ginsenoside rh2, (20s)-ginsenoside rh2, 20(s)-ginsenoside, Ginsenoside-rh2, Chebi:77147

Molecular Formula

C₃₆H₆₂O₈

Molecular Weight

622.9 g/mol

InChI Key

CKUVNOCSBYYHIS-IRFFNABBSA-N

FDA UNII

0JU44A5KWG

(20S)-ginsenoside rh2 is a natural product found in Panax ginseng and Panax notoginseng with data available.

1 2D Structure

Ginsenoside Rh2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

2.1.3 InChI Key

CKUVNOCSBYYHIS-IRFFNABBSA-N

2.1.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C

2.1.5 Isomeric SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C

2.2 Other Identifiers

2.2.1 UNII

0JU44A5KWG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ginsenoside-rh2

2.3.2 Depositor-Supplied Synonyms

1. 78214-33-2

2. 20(s)-ginsenoside Rh2

3. (20s)-ginsenoside Rh2

4. 20(s)-ginsenoside

5. Ginsenoside-rh2

6. Chebi:77147

7. 20s-ginsenoside Rh2

8. 0ju44a5kwg

9. (2r,3r,4s,5s,6r)-2-[[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-12-hydroxy-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

10. (20r)-ginsenoside Rh2

11. 20(s)-rh2

12. (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl Beta-d-glucopyranoside

13. (20r)ginsenoside Rh2

14. Ginsenosiderh2

15. 112246-15-8

16. (s)ginsenoside-rh2

17. 20s-ginsenosiderh2

18. Unii-0ju44a5kwg

19. Ginsenoside Rh2(s)

20. 20(s)- Ginsenoside Rh2

21. Ginsenoside 20-rh2

22. Chembl1783834

23. Dtxsid70999457

24. 67400-17-3

25. Hy-n0605

26. Bdbm50023457

27. Ginsenoside Rh2, Analytical Standard

28. Mfcd00800712

29. S9023

30. S9036

31. Zinc72129809

32. Akos037514675

33. Ccg-270259

34. Ccg-270261

35. Cs-3835

36. Ac-33940

37. Ginsenoside Rh2; 20(s)-ginsenoside Rh2

38. C22128

39. 20s-protopanaxdiol-3-o-beta-d- Glucopyranoside

40. 214g332

41. Q-100827

42. Q27146703

43. 3-o-.beta.-d-glucopyranosyl-20(s)-protopanaxadiol

44. 3beta-(beta-d-glucopyranosyloxy)dammar-24-ene-3beta,20beta-diol

45. Beta-d-glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl

46. .beta.-d-glucopyranoside, (3.beta.,12.beta.)-12,20-dihydroxydammar-24-en-3-yl

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₆₂O₈
Molecular Weight	622.9 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	622.44446893 g/mol
Monoisotopic Mass	622.44446893 g/mol
Topological Polar Surface Area	140 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1