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Gomisin O

CAT: 1407-AB0318Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0318Size:10 mg
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CAS Number
72960-22-6
Purity
98% (HPLC)
Molecular Formula
C23H28O7
Molecular Weight
416.47

Chemical Information

Gomisin O

gomisin o has been reported in Schisandra bicolor, Schisandra arisanensis, and other organisms with data available.

CAS Number72960-22-6
PubChem CID5317808
IUPAC Name(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol
Molecular FormulaC23H28O7
Molecular Weight416.5
XLogP4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity574
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@H]1C)O)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C23H28O7/c1-11-7-13-8-16-21(30-10-29-16)22(27-5)17(13)18-14(19(24)12(11)2)9-15(25-3)20(26-4)23(18)28-6/h8-9,11-12,19,24H,7,10H2,1-6H3/t11-,12-,19+/m0/s1
InChIKey
GWDFJIBHVSYXQL-SYTFOFBDSA-N
Chemical Structure
2D Structure
2D structure of Gomisin O
CAS: 72960-22-6
CID: 5317808
Formula: C23H28O7
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass416.18350323
Monoisotopic Mass416.18350323
Topological Polar Surface Area75.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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