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Momor-cerebroside I

CAT: 0804-HY-N3249Size: 1 EachDry Ice: NoHazardous: No
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Description
Momor-cerebroside I is a cerebroside compound isolated from Momordica charantia[1].
CAS Number
606125-07-9
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/momor-cerebroside-i.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(N[C@H]([C@H](O)[C@H](O)CCC/C=C/CCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)=O
Molecular Formula
C48H93NO10
Molecular Weight
844.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Jiyoung Ryu, et al. Cerebrosides from Longan Arillus. Arch Pharm Res. 2003 Feb;26 (2) :138-42.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Momor-cerebroside I

(2R)-N-[(2S,3S,4R,8E)-3,4-dihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-8-en-2-yl]-2-hydroxytetracosanimidic acid has been reported in Capsicum annuum with data available.

CAS Number606125-07-9
PubChem CID91895300
IUPAC Name(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide
Molecular FormulaC48H93NO10
Molecular Weight844.3
XLogP13.3
Topological Polar Surface Area189
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count41
Heavy Atom Count59
Formal Charge0
Complexity972
SMILES
CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCC/C=C/CCCCCCCCC)O)O)O
InChI
InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b29-27+/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
InChIKey
QZNIVVAKPLIDJX-BSLJDOEJSA-N
Chemical Structure
2D Structure
2D structure of Momor-cerebroside I
CAS: 606125-07-9
CID: 91895300
Formula: C48H93NO10
MW: 844.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight844.3
XLogP313.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count41
Exact Mass843.67994816
Monoisotopic Mass843.67994816
Topological Polar Surface Area189 Ų
Heavy Atom Count59
Formal Charge0
Complexity972
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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