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Suffruticosol C

CAT: 1410-M39245-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39245-02Size:5 mg
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Description
Suffruticosol C
CAS Number
220936-94-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
680.7
Molecular Formula
C42H32O9
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Suffruticosol C
CAS Number220936-94-7
PubChem CID102277186
IUPAC Name(2S,9R,10R,17R,18R,25S)-10,18,25-tris(4-hydroxyphenyl)-19-oxahexacyclo[15.6.1.12,9.03,8.011,16.020,24]pentacosa-1(24),3(8),4,6,11(16),12,14,20,22-nonaene-4,6,12,14,22-pentol
Molecular FormulaC42H32O9
Molecular Weight680.7
XLogP6.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count51
Formal Charge0
Complexity1190
SMILES
C1=CC(=CC=C1[C@H]2[C@@H]3[C@@H](C4=C(C=C(C=C4O)O)[C@H]5[C@@H](OC6=CC(=CC(=C56)[C@H]2C7=C3C=C(C=C7O)O)O)C8=CC=C(C=C8)O)C9=CC=C(C=C9)O)O
InChI
InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-29(14-26(47)16-31(36)49)41-38-30(15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21)40-35(20-3-9-23(44)10-4-20)39(34)28-13-25(46)17-32(50)37(28)40/h1-18,34-35,39-50H/t34-,35+,39+,40-,41-,42+/m1/s1
InChIKey
NYJCVXUMBPZNJJ-MKFGTGJNSA-N
Chemical Structure
2D Structure
2D structure of Suffruticosol C
CAS: 220936-94-7
CID: 102277186
Formula: C42H32O9
MW: 680.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight680.7
XLogP36.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass680.20463259
Monoisotopic Mass680.20463259
Topological Polar Surface Area171 Ų
Heavy Atom Count51
Formal Charge0
Complexity1190
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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