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Saikogenin F

CAT: 1407-AB1242Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB1242Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14356-59-3
Purity
98% (HPLC)
Molecular Formula
C30H48O4
Molecular Weight
472.71

Chemical Information

Saikogenin F

Saikogenin F has been reported in Bupleurum falcatum with data available.

CAS Number14356-59-3
PubChem CID21594261
IUPAC Name(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-2,10-diol
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP5.8
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity913
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=C[C@@]45[C@]3(C[C@@H]([C@@]6([C@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)O
InChI
InChI=1S/C30H48O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h8,12,19-23,31-33H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22+,23+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey
IUBQSOTVBGNWDI-CUMBFETHSA-N
Chemical Structure
2D Structure
2D structure of Saikogenin F
CAS: 14356-59-3
CID: 21594261
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area69.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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