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Sauchinone 1mg

CAT: 0628-A14739-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A14739-1Size:1 mg
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CAS Number
177931-17-8

Chemical Information

Sauchinone

(1S,12R,13S,14R,16R,23R)-13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.0¹,¹⁹.0³,¹¹.0⁵,⁹.0¹⁶,²³]tricosa-3,5(9),10,18-tetraen-17-one has been reported in Saururus chinensis with data available.

CAS Number177931-17-8
PubChem CID11725801
IUPAC Name(1S,12R,13S,14R,16R,23R)-13,14-dimethyl-2,6,8,20,22-pentaoxahexacyclo[10.10.1.01,19.03,11.05,9.016,23]tricosa-3,5(9),10,18-tetraen-17-one
Molecular FormulaC20H20O6
Molecular Weight356.4
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity675
SMILES
C[C@@H]1C[C@@H]2[C@H]3[C@@H]([C@H]1C)C4=CC5=C(C=C4O[C@@]36C(=CC2=O)OCO6)OCO5
InChI
InChI=1S/C20H20O6/c1-9-3-11-13(21)5-17-20(25-8-24-17)19(11)18(10(9)2)12-4-15-16(23-7-22-15)6-14(12)26-20/h4-6,9-11,18-19H,3,7-8H2,1-2H3/t9-,10+,11+,18+,19+,20+/m1/s1
InChIKey
GMTJIWUFFXGFHH-WPAOEJHSSA-N
Chemical Structure
2D Structure
2D structure of Sauchinone
CAS: 177931-17-8
CID: 11725801
Formula: C20H20O6
MW: 356.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass356.12598835
Monoisotopic Mass356.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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