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Zingibroside R1

CAT: 0013-GTR19168227-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168227-06Size:100 mg
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Description
Zingibroside R1 (Ginsenoside Z-R1) is a research compound exhibiting anti-HIV-1 properties. It is utilized in virology and pharmacology for in vitro studies investigating its mechanism of action against viral replication.
CAS Number
80930-74-1
Product Name Alternative
Zingibroside R 1, Zingibroside R1, Zingibroside R-1, inhibit, Ginsenoside Z-R1, Inhibitor, Human immunodeficiency virus, HIV, HIV Protease, HIVProtease
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
98.93% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.26 mM) ; DMSO:7.95 mg/mL (10 mM)
Smiles
[H][C@@]1 (O[C@@H]2[C@@H] (O) [C@H] (O) [C@H] (O[C@@]2 ([H]) O[C@H]2CC[C@@]3 (C) [C@@] ([H]) (CC[C@]4 (C) [C@]3 ([H]) CC=C3[C@]5 ([H]) CC (C) (C) CC[C@@]5 (CC[C@@]43C) C (O) =O) C2 (C) C) C (O) =O) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C42H66O14
Molecular Weight
794.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zingibroside R1

Zingibroside R1 has been reported in Panax japonicus, Meryta lanceolata, and Polyscias fruticosa with data available.

CAS Number80930-74-1
PubChem CID10395524
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC42H66O14
Molecular Weight795.0
XLogP4.5
Topological Polar Surface Area233
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count56
Formal Charge0
Complexity1560
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey
WJQOMUVKRDJBGZ-COUNGWPASA-N
Chemical Structure
2D Structure
2D structure of Zingibroside R1
CAS: 80930-74-1
CID: 10395524
Formula: C42H66O14
MW: 795.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight795.0
XLogP34.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass794.44525677
Monoisotopic Mass794.44525677
Topological Polar Surface Area233 Ų
Heavy Atom Count56
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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