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Phlorigidoside C

CAT: 0013-GTR19228614-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228614-01Size:1 mg
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Description
Phlorigidoside C
CAS Number
276691-32-8
Field of Research
Signal Transduction
Purity
99.99% (May vary between batches)
Smiles
C[C@@]12[C@@]3 ([C@] ([C@H] (O) [C@@]1 (O2) [H]) (C (C (OC) =O) =CO[C@H]3O[C@@H]4O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O) [H]) [H]
Molecular Formula
C17H24O11
Molecular Weight
404.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phlorigidoside C

Phlorigidoside C has been reported in Phlomis rigida, Phlomoides tuberosa, and Phlomoides rotata with data available.

CAS Number276691-32-8
PubChem CID70686276
IUPAC Namemethyl (1S,2R,4S,5S,6S,10S)-5-hydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
Molecular FormulaC17H24O11
Molecular Weight404.4
XLogP-2.6
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity667
SMILES
C[C@@]12[C@@H]3[C@H]([C@@H]([C@@H]1O2)O)C(=CO[C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)OC
InChI
InChI=1S/C17H24O11/c1-17-8-7(10(20)13(17)28-17)5(14(23)24-2)4-25-15(8)27-16-12(22)11(21)9(19)6(3-18)26-16/h4,6-13,15-16,18-22H,3H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13+,15+,16+,17-/m1/s1
InChIKey
VZRXACBYBGKGNQ-GNDDPXJISA-N
Chemical Structure
2D Structure
2D structure of Phlorigidoside C
CAS: 276691-32-8
CID: 70686276
Formula: C17H24O11
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP3-2.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass404.13186158
Monoisotopic Mass404.13186158
Topological Polar Surface Area168 Ų
Heavy Atom Count28
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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