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Phlomisionoside

CAT: 0931-T124658-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T124658-02Size:5 mg
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CAS Number
558451-77-7
Target
Others
Related Pathways
Others
Bioactivity
Phlomisionoside is a useful organic compound for research related to life sciences. The catalog number is T124658 and the CAS number is 558451-77-7.
Smiles
C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C1=C(C)[C@@H](O)[C@@H](O)CC1(C)C
Molecular Formula
C19H32O8
Molecular Weight
388.457
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phlomisionoside
CAS Number558451-77-7
PubChem CID155978890
IUPAC Name(2R,3R,4S,5S,6R)-2-[(E,2R)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC19H32O8
Molecular Weight388.5
XLogP-1.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity572
SMILES
CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C19H32O8/c1-9(26-18-17(25)16(24)15(23)13(8-20)27-18)5-6-11-10(2)14(22)12(21)7-19(11,3)4/h5-6,9,12-18,20-25H,7-8H2,1-4H3/b6-5+/t9-,12+,13-,14-,15-,16+,17-,18-/m1/s1
InChIKey
BKOVCSFRZJRYIO-BVEGBBMMSA-N
Chemical Structure
2D Structure
2D structure of Phlomisionoside
CAS: 558451-77-7
CID: 155978890
Formula: C19H32O8
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass388.20971797
Monoisotopic Mass388.20971797
Topological Polar Surface Area140 Ų
Heavy Atom Count27
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19229017-01Phlomisionoside

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