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Ginsenoside Rh4

CAS No.:
174721-08-5
Catalog Number:
AG00ABNZ
Molecular Formula:
C36H60O8
Molecular Weight:
620.8568
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Product Description
Catalog Number:
AG00ABNZ
Chemical Name:
Ginsenoside Rh4
CAS Number:
174721-08-5
Molecular Formula:
C36H60O8
Molecular Weight:
620.8568
MDL Number:
MFCD22125012
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
InChI Key:
OZTXYFOXQFKYRP-TXRYYSRHSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2/C(=C/CC=C(C)C)/C)O)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
1  
Exact Mass:
620.429g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
620.868g/mol
Monoisotopic Mass:
620.429g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Structural-Activity Relationship of Ginsenosides from Steamed Ginseng in the Treatment of Erectile Dysfunction. The American journal of Chinese medicine 20180101
Anti-complementary ginsenosides isolated from processed ginseng. Biological & pharmaceutical bulletin 20110101
[Studies on chemical constituents from rhizomes of Panax notoginseng]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20071101
Microbial transformation of 20(S)-protopanaxatriol-type saponins by Absidia coerulea. Journal of natural products 20070701
Immunological adjuvant effect of ginsenoside Rh4 from the roots of Panax notoginseng on specific antibody and cellular response to ovalbumin in mice. Chemistry & biodiversity 20070201
Immunological-adjuvant saponins from the roots of Panax notoginseng. Chemistry & biodiversity 20050401
Triterpene saponins from Vietnamese ginseng (Panax vietnamensis) and their hepatocytoprotective activity. Journal of natural products 20010401
Properties