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Schisanlignone D

CAT: 0804-HY-N10806Size: 1 EachDry Ice: NoHazardous: No
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Description
Schisanlignone D is a chemical component of Schisandra viridis a. c. sm[1].
CAS Number
144606-84-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/schisanlignone-d.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(C3=C(C4=C(C=C3CC(C1C)C)OCO4)OC)C(OC)=C5OCOC5=C2
Molecular Formula
C22H22O7
Molecular Weight
398.41
References & Citations
[1]Luo G, et al. STUDIES ON THE CONSTITUENT OF SCLISANDRA-VIRIDIS AC SM IN THE NORTHERN GUANGDONG PROVINCE. 2[J]. Acta Chimica Sinica, 1992, 50 (5) : 515-520.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-one
CAS Number144606-84-8
PubChem CID74037391
IUPAC Name3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-one
Molecular FormulaC22H22O7
Molecular Weight398.4
XLogP4.2
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(=O)C1C)OCO5)OC)OC)OCO3
InChI
InChI=1S/C22H22O7/c1-10-5-12-6-14-19(28-8-26-14)21(24-3)16(12)17-13(18(23)11(10)2)7-15-20(22(17)25-4)29-9-27-15/h6-7,10-11H,5,8-9H2,1-4H3
InChIKey
ZPDDZABRYUKCAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-one
CAS: 144606-84-8
CID: 74037391
Formula: C22H22O7
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass398.13655304
Monoisotopic Mass398.13655304
Topological Polar Surface Area72.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes