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Gomisin U

CAT: 1410-M31964-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Gomisin U is a natural product for research related to life sciences.
CAS Number
135095-46-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.5
Molecular Formula
C23H30O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Gomisin U
CAS Number135095-46-4
PubChem CID14213996
IUPAC Name(9S,10S,11R)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,11-diol
Molecular FormulaC23H30O7
Molecular Weight418.5
XLogP3.8
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity546
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@@H]([C@H]1C)O)OC)OC)OC)OC)OC)O
InChI
InChI=1S/C23H30O7/c1-11-8-13-9-15(24)20(27-4)22(29-6)17(13)18-14(19(25)12(11)2)10-16(26-3)21(28-5)23(18)30-7/h9-12,19,24-25H,8H2,1-7H3/t11-,12-,19+/m0/s1
InChIKey
FNANNZAGLCKFOL-SYTFOFBDSA-N
Chemical Structure
2D Structure
2D structure of Gomisin U
CAS: 135095-46-4
CID: 14213996
Formula: C23H30O7
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass418.19915329
Monoisotopic Mass418.19915329
Topological Polar Surface Area86.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity546
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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