Syringopicroside

CAT: 0127-BUP07540-02Size: 5 mgDry Ice: NoHazardous: No

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CAS Number

29118-80-7

Purity

=95%

Smiles

C(OCCC1=CC=C(O)C=C1)(=O)C=2[C@@]3([C@]([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2)([C@@H](C)C(=O)C3)[H])[H]

Chemical Information

Syringopicroside

Syringopicroside has been reported in Syringa reticulata with data available.

CAS Number	29118-80-7
PubChem CID	161619
IUPAC Name	2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular Formula	C24H30O11
Molecular Weight	494.5
XLogP	-0.1
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	792

SMILES

C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OCCC4=CC=C(C=C4)O

InChI

InChI=1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1

InChIKey

VBXLWOOOZVFVNF-MUNFHUKUSA-N

Chemical Structure

2D Structure

CAS: 29118-80-7

CID: 161619

Formula: C24H30O11

MW: 494.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	494.5
XLogP3	-0.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	494.17881177
Monoisotopic Mass	494.17881177
Topological Polar Surface Area	172 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	792
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TN6837-01	Syringopicroside

Syringopicroside

Chemical Information

Alternative Products

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