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Gomisin E

CAT: 1410-M38773-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Gomisin E is a natural product from Schizandra chinensis.
CAS Number
72960-21-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
514.56
Molecular Formula
C28H34O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

CID 78385000

Gomisin E has been reported in Kadsura coccinea and Schisandra chinensis with data available.

CAS Number72960-21-5
PubChem CID78385000
IUPAC Name12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
Molecular FormulaC28H34O9
Molecular Weight514.6
XLogP4.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity823
SMILES
CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1C)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
InChI
InChI=1S/C28H34O9/c1-13-8-16-9-19-24(36-12-35-19)26-20(16)21-17(10-18(31-5)23(32-6)25(21)33-7)22(15(13)3)37-27(29)28(4,30)14(2)11-34-26/h9-10,13-15,22,30H,8,11-12H2,1-7H3
InChIKey
MLGBLGQFPHASJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 78385000
CAS: 72960-21-5
CID: 78385000
Formula: C28H34O9
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass514.22028266
Monoisotopic Mass514.22028266
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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