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Sanggenone C 1mg

CAT: 0628-A14833-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
80651-76-9

Chemical Information

Sanggenon C

Sanggenon C has been reported in Morus cathayana and Morus with data available.

CAS Number80651-76-9
PubChem CID15479638
IUPAC Name(5aR,10aS)-2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
Molecular FormulaC40H36O12
Molecular Weight708.7
XLogP6.3
Topological Polar Surface Area214
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count52
Formal Charge0
Complexity1430
SMILES
CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C5=C(C=C4O)O[C@@]6(C7=C(C=C(C=C7)O)O[C@@]6(C5=O)O)CC=C(C)C)O
InChI
InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
InChIKey
XETHJOZXBVWLLM-HUKCQOFTSA-N
Chemical Structure
2D Structure
2D structure of Sanggenon C
CAS: 80651-76-9
CID: 15479638
Formula: C40H36O12
MW: 708.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight708.7
XLogP36.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass708.22067658
Monoisotopic Mass708.22067658
Topological Polar Surface Area214 Ų
Heavy Atom Count52
Formal Charge0
Complexity1430
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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