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Soyacerebroside II

CAT: 0804-HY-N1204-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1204-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Soyacerebroside II is a calcium ionophoretic sphingoglycolipid that can be isolated from Soybean[1].
CAS Number
115074-93-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/soyacerebroside-ii.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCC[C@@H](O)C(N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H](O)/C=C/CC/C=C\CCCCCCCCC)=O
Molecular Formula
C40H75NO9
Molecular Weight
714.02
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]H SHIBUYA, et al. Sphingolipids and Glycerolipids. IV. Syntheses and Ionophoretic Activities of Several Analogues of Soya-cerebroside II, a Calcium Ionophoretic Sphingoglycolipid Isolated from Soybean.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Soya-cerebroside II

(2R)-2-hydroxy-N-[(3R,4E,8Z)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide has been reported in Cibotium barometz with data available.

CAS Number115074-93-6
PubChem CID6450042
IUPAC Name(2R)-2-hydroxy-N-[(3R,4E,8Z)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
Molecular FormulaC40H75NO9
Molecular Weight714.0
XLogP9.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count32
Heavy Atom Count50
Formal Charge0
Complexity857
SMILES
CCCCCCCCCCCCCC[C@H](C(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C\CCCCCCCCC)O)O
InChI
InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32?,33-,34-,35-,36-,37+,38-,40+/m1/s1
InChIKey
HOMYIYLRRDTKAA-RZGXGQPASA-N
Chemical Structure
2D Structure
2D structure of Soya-cerebroside II
CAS: 115074-93-6
CID: 6450042
Formula: C40H75NO9
MW: 714.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight714.0
XLogP39.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count32
Exact Mass713.54418297
Monoisotopic Mass713.54418297
Topological Polar Surface Area169 Ų
Heavy Atom Count50
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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