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(-) -Schiarisanrin D

CAT: 0804-HY-N12789-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12789-01Size:1 mg
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Description
(-) -Schiarisanrin D is a homolignan and can be isolated from Schizandra arisanensis[1].
CAS Number
188943-88-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/minus-schiarisanrin-d.html
Solubility
10 mM in DMSO
Smiles
O=C1[C@@]23C4=C([C@@H]([C@@H]([C@@H](CC3=CC(OC)=C1OC)C)C)OC(/C=C/C5=CC=CC=C5)=O)C=C(OCO6)C6=C4OC2
Molecular Formula
C31H30O8
Molecular Weight
530.57
References & Citations
[1]Kuo YH, et al. Four New C19 Homolignans, Schiarisanrins A, B, and D and Cytotoxic Schiarisanrin C, from Schizandra arisanensis. J Org Chem. 1997 May 16;62 (10) :3242-3245.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Schiarisanrin D

schiarisanrin D has been reported in Schisandra arisanensis and Kadsura japonica with data available.

CAS Number188943-88-6
PubChem CID44584767
IUPAC Name[(1S,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate
Molecular FormulaC31H30O8
Molecular Weight530.6
XLogP5
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity1070
SMILES
C[C@@H]1CC2=CC(=C(C(=O)[C@@]23COC4=C3C(=CC5=C4OCO5)[C@@H]([C@@H]1C)OC(=O)/C=C/C6=CC=CC=C6)OC)OC
InChI
InChI=1S/C31H30O8/c1-17-12-20-13-22(34-3)28(35-4)30(33)31(20)15-36-29-25(31)21(14-23-27(29)38-16-37-23)26(18(17)2)39-24(32)11-10-19-8-6-5-7-9-19/h5-11,13-14,17-18,26H,12,15-16H2,1-4H3/b11-10+/t17-,18-,26-,31+/m1/s1
InChIKey
ACFUZZGYRLQTDI-VNUPLTAFSA-N
Chemical Structure
2D Structure
2D structure of Schiarisanrin D
CAS: 188943-88-6
CID: 44584767
Formula: C31H30O8
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass530.19406791
Monoisotopic Mass530.19406791
Topological Polar Surface Area89.5 Ų
Heavy Atom Count39
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes