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Clematine

CAT: 0931-T125781-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125781-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150172-22-8
Target
Others
Related Pathways
Others
Bioactivity
Clematine is a useful organic compound for research related to life sciences. The catalog number is T125781 and the CAS number is 150172-22-8.
Smiles
COc1cc(ccc1O)C1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
Molecular Formula
C28H34O15
Molecular Weight
610.565
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clematine
CAS Number150172-22-8
PubChem CID102148799
IUPAC Name5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC28H34O15
Molecular Weight610.6
XLogP-1.1
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity940
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O)O
InChI
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10-,16?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey
APSNPMVGBGZYAJ-ATDINVGTSA-N
Chemical Structure
2D Structure
2D structure of Clematine
CAS: 150172-22-8
CID: 102148799
Formula: C28H34O15
MW: 610.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.6
XLogP3-1.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass610.18977037
Monoisotopic Mass610.18977037
Topological Polar Surface Area234 Ų
Heavy Atom Count43
Formal Charge0
Complexity940
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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