Products for Research Use Only
RegisterLogin

Sesamoside

CAT: 0926-SEA47987-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-SEA47987-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
117479-87-5
MDL Number
MFCD20274707
Smiles
C[C@@]12[C@H]3[C@@H] (OC=C ([C@]3 ([C@@H] ([C@@H]1O2) O) O) C (=O) OC) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O
Molecular Formula
C17H24O12
Molecular Weight
420.37 g/mol
Controlled
No

Chemical Information

Sesamoside

Sesamoside has been reported in Pedicularis muscicola, Lamium garganicum, and other organisms with data available.

CAS Number117479-87-5
PubChem CID3082856
IUPAC Namemethyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-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 FormulaC17H24O12
Molecular Weight420.4
XLogP-3.1
Topological Polar Surface Area188
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity713
SMILES
C[C@@]12[C@H]3[C@@H](OC=C([C@]3([C@@H]([C@@H]1O2)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1
InChIKey
XZVXEPPPQBLGMQ-HISQCTEXSA-N
Chemical Structure
2D Structure
2D structure of Sesamoside
CAS: 117479-87-5
CID: 3082856
Formula: C17H24O12
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP3-3.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass420.12677620
Monoisotopic Mass420.12677620
Topological Polar Surface Area188 Ų
Heavy Atom Count29
Formal Charge0
Complexity713
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

Alternative Products

CatalogName
466046-01Sesamoside
371966Sesamoside discontinued
A14700-5Sesamoside 5mg
A14700-100Sesamoside 100mg
A14700-50Sesamoside 50mg
A14700-10Sesamoside 10mg
HY-N0412RSesamoside (Standard)
A14700-25Sesamoside 25mg
A14700-10mM-DSesamoside 10mM * 1mL in DMSO

Popular Products