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Robustaside A

CAT: 0013-GTR19231555-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231555-01Size:1 mg
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Description
Robustaside A (CAS 148810-39-3) is a natural product suitable for use as an analytical reference standard. It is utilized in phytochemical and pharmacological research, with studies investigating its biological activities in both in vitro assays and experimental models.
CAS Number
148810-39-3
Smiles
O[C@@H]1[C@@H] (COC (=O) \C=C\c2ccc (O) cc2) O[C@@H] (Oc2ccc (O) cc2) [C@H] (O) [C@H]1O
Molecular Formula
C21H22O9
Molecular Weight
418.398
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Robustaside A

Robutaside A has been reported in Breynia vitis-idaea, Grevillea robusta, and other organisms with data available.

CAS Number148810-39-3
PubChem CID26263971
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC21H22O9
Molecular Weight418.4
XLogP1.5
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity567
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)O)O)O)O
InChI
InChI=1S/C21H22O9/c22-13-4-1-12(2-5-13)3-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-8-6-14(23)7-9-15/h1-10,16,18-23,25-27H,11H2/b10-3+/t16-,18-,19+,20-,21-/m1/s1
InChIKey
DTBYJDROKVCOQC-CEKNMCGLSA-N
Chemical Structure
2D Structure
2D structure of Robustaside A
CAS: 148810-39-3
CID: 26263971
Formula: C21H22O9
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass418.12638228
Monoisotopic Mass418.12638228
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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