Products for Research Use Only
RegisterLogin

Tuberonoid A

CAT: 0013-GTR19228318-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19228318-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Tuberonoid A (CAS 1709795-29-8) is a research chemical utilized in life science studies. It serves as a valuable tool compound for both in vitro and in vivo experimental research, particularly in the fields of natural product chemistry and biological activity screening.
CAS Number
1709795-29-8
Smiles
COc1cc (\C=C\C (=O) O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) ccc1O
Molecular Formula
C22H30O14
Molecular Weight
518.468
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tuberonoid A
CAS Number1709795-29-8
PubChem CID155978806
IUPAC Name[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC22H30O14
Molecular Weight518.5
XLogP-1.9
Topological Polar Surface Area225
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity736
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C22H30O14/c1-32-11-6-9(2-4-10(11)25)3-5-14(26)35-22-20(18(30)16(28)13(8-24)34-22)36-21-19(31)17(29)15(27)12(7-23)33-21/h2-6,12-13,15-25,27-31H,7-8H2,1H3/b5-3+/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22+/m1/s1
InChIKey
NHJBHIDAEPZEMB-IFCFXUHCSA-N
Chemical Structure
2D Structure
2D structure of Tuberonoid A
CAS: 1709795-29-8
CID: 155978806
Formula: C22H30O14
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP3-1.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass518.16355563
Monoisotopic Mass518.16355563
Topological Polar Surface Area225 Ų
Heavy Atom Count36
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19233160-01(±) -Tuberonic Acid
GTR19227831-01Tuberonic acid glucoside

Alternative Products

CatalogName
MBS5791077Tuberonoid A

Popular Products