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Senegose J

CAT: 0013-GTR19254579-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254579-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Senegose J is an oligosaccharide component extracted from Polygala senega var. latifolia.
CAS Number
156250-46-3
Product Name Alternative
SenegoseJ
Purity
99.84% (May vary between batches)
Smiles
O=C (OCC1 (OC2OC (COC (=O) C) C (OC (=O) C=CC3=CC=C (O) C (OC) =C3) C (OC4OC (COC (=O) C) C (OC5OC (CO) C (O) C (O) C5O) C (O) C4O) C2OC6OC (CO) C (O) C (O) C6O) OC (CO) C (O) C1OC (=O) C=7C=CC=CC7) C=CC8=CC=C (O) C=C8
Molecular Formula
C60H74O34
Molecular Weight
1339.21
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Senegose J
CAS Number156250-46-3
PubChem CID74029824
IUPAC Name[2-[6-(acetyloxymethyl)-4-[6-(acetyloxymethyl)-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxolan-3-yl] benzoate
Molecular FormulaC60H74O34
Molecular Weight1339.2
XLogP-2.4
Topological Polar Surface Area507
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count34
Rotatable Bond Count30
Heavy Atom Count94
Formal Charge0
Complexity2500
SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O
InChI
InChI=1S/C60H74O34/c1-26(64)81-23-37-50(89-56-47(76)44(73)41(70)34(20-61)84-56)46(75)49(78)58(86-37)90-52-51(88-40(69)18-13-29-11-16-32(67)33(19-29)80-3)38(24-82-27(2)65)87-59(53(52)91-57-48(77)45(74)42(71)35(21-62)85-57)94-60(25-83-39(68)17-12-28-9-14-31(66)15-10-28)54(43(72)36(22-63)93-60)92-55(79)30-7-5-4-6-8-30/h4-19,34-38,41-54,56-59,61-63,66-67,70-78H,20-25H2,1-3H3
InChIKey
VNQMKDAIXQEVQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Senegose J
CAS: 156250-46-3
CID: 74029824
Formula: C60H74O34
MW: 1339.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1339.2
XLogP3-2.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count34
Rotatable Bond Count30
Exact Mass1338.4061494
Monoisotopic Mass1338.4061494
Topological Polar Surface Area507 Ų
Heavy Atom Count94
Formal Charge0
Complexity2500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count24
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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