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Suavioside A

CAT: 0926-IFA74037-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-IFA74037-02Size:25 mg
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CAS Number
133740-37-1
Smiles
CS (=O) (=O) NC1=CC=CC (=C1) C2=CC (=CC (=C2) Cl) O
Molecular Formula
C26H44O8
Molecular Weight
484.60 g/mol
Controlled
No

Chemical Information

CID 73821014
CAS Number133740-37-1
PubChem CID73821014
IUPAC Name2-[(6,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC26H44O8
Molecular Weight484.6
XLogP1.8
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
CC1(C2CCC34CC(CCC3C2(CCC1O)C)C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)C
InChI
InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(4-5-17(25)24(16,3)8-7-18(23)28)26(32,12-25)13-33-22-21(31)20(30)19(29)15(11-27)34-22/h14-22,27-32H,4-13H2,1-3H3
InChIKey
KCTSUIMXVGYXPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 73821014
CAS: 133740-37-1
CID: 73821014
Formula: C26H44O8
MW: 484.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass484.30361836
Monoisotopic Mass484.30361836
Topological Polar Surface Area140 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N9089Suavioside A

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