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Shizukanolide H

CAT: 0931-TN5009Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5009Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1136932-34-7
Target
Others
Related Pathways
Others
Bioactivity
Shizukanolide H is a natural product of Chloranthus, Chloranthaceae. The catalog number is TN5009 and the CAS number is 1136932-34-7. Shizukanolide H can be used as a reference standard.
Smiles
CC(=O)OC[C@@H]1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(CO)=C3C[C@@H]12
Molecular Formula
C17H20O5
Molecular Weight
304.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Shizukanolide H
CAS Number1136932-34-7
PubChem CID91885103
IUPAC Name[(1S,9S,10R,12S,13R)-4-(hydroxymethyl)-9-methyl-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-13-yl]methyl acetate
Molecular FormulaC17H20O5
Molecular Weight304.34
XLogP1.7
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity631
SMILES
CC(=O)OC[C@@H]1[C@H]2C[C@H]2[C@]3([C@H]1CC4=C(C(=O)OC4=C3)CO)C
InChI
InChI=1S/C17H20O5/c1-8(19)21-7-12-9-3-13(9)17(2)5-15-10(4-14(12)17)11(6-18)16(20)22-15/h5,9,12-14,18H,3-4,6-7H2,1-2H3/t9-,12-,13-,14+,17+/m1/s1
InChIKey
SVHYJRPBSSMUDB-SRIVDKISSA-N
Chemical Structure
2D Structure
2D structure of Shizukanolide H
CAS: 1136932-34-7
CID: 91885103
Formula: C17H20O5
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass304.13107373
Monoisotopic Mass304.13107373
Topological Polar Surface Area72.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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