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Isoginsenoside Rh3

CAT: 1410-M38865-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M38865-02Size:2 mg
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Description
Isoginsenoside Rh3 is a natural product
CAS Number
166040-90-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
604.869
Molecular Formula
C36H60O7
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Isoginsenoside-Rh3

Isoginsenoside Rh3 has been reported in Panax ginseng with data available.

CAS Number166040-90-0
PubChem CID122196267
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-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-3-yl]oxy]oxane-3,4,5-triol
Molecular FormulaC36H60O7
Molecular Weight604.9
XLogP7
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1080
SMILES
CC(=CC/C=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)C
InChI
InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10-11,22-32,37-41H,9,12-19H2,1-8H3/b21-11+/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1
InChIKey
PHLXREOMFNVWOH-DNQFHFKUSA-N
Chemical Structure
2D Structure
2D structure of Isoginsenoside-Rh3
CAS: 166040-90-0
CID: 122196267
Formula: C36H60O7
MW: 604.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.9
XLogP37
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass604.43390425
Monoisotopic Mass604.43390425
Topological Polar Surface Area120 Ų
Heavy Atom Count43
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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