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Gomisin L2

CAT: 0926-HDA42544-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-HDA42544-01Size:10 mg
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CAS Number
82425-44-3
Smiles
CC1CC2=CC (=C (C (=C2C3=C (C4=C (C=C3CC1C) OCO4) OC) OC) OC) O
Molecular Formula
C22H26O6
Molecular Weight
386.4 g/mol
Controlled
Yes

Chemical Information

Gomisin L2, (-)-

(-)-gomisin L2 has been reported in Schisandra bicolor and Schisandra chinensis with data available.

CAS Number82425-44-3
PubChem CID5317807
IUPAC Name(9S,10R)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-ol
Molecular FormulaC22H26O6
Molecular Weight386.4
XLogP4.8
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity529
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@H]1C)OCO4)OC)OC)OC)O
InChI
InChI=1S/C22H26O6/c1-11-6-13-8-15(23)19(24-3)21(25-4)17(13)18-14(7-12(11)2)9-16-20(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m0/s1
InChIKey
BVMLGLOHSDNEJG-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of Gomisin L2, (-)-
CAS: 82425-44-3
CID: 5317807
Formula: C22H26O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass386.17293854
Monoisotopic Mass386.17293854
Topological Polar Surface Area66.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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