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Bulleyanin

CAT: 1410-M29287-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M29287-02Size:5 mg
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Description
Bulleyanin shows strong inhibition of mouse ehrlich ascites carcinoma (ECA), mouse sarcoma S-180, and mouse liver ascites.
CAS Number
123043-54-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
534.6
Molecular Formula
C28H38O10
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

CID 91895328
CAS Number123043-54-9
PubChem CID91895328
IUPAC Name[(1R,2S,4R,6S,8S,9R,10S,11R,12R,13R)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Molecular FormulaC28H38O10
Molecular Weight534.6
XLogP2.2
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1090
SMILES
CC(=O)O[C@H]1C[C@H]2[C@@]([C@H](C[C@@H](C2(C)C)OC(=O)C)OC(=O)C)([C@H]3[C@]14C[C@@H]([C@H]([C@@H]3OC(=O)C)O)C(=C)C4=O)C
InChI
InChI=1S/C28H38O10/c1-12-17-11-28(25(12)34)21(37-15(4)31)9-18-26(6,7)19(35-13(2)29)10-20(36-14(3)30)27(18,8)24(28)23(22(17)33)38-16(5)32/h17-24,33H,1,9-11H2,2-8H3/t17-,18-,19+,20+,21+,22-,23+,24+,27+,28+/m1/s1
InChIKey
UHAGZLPOLNCLEQ-LZHSZMFSSA-N
Chemical Structure
2D Structure
2D structure of CID 91895328
CAS: 123043-54-9
CID: 91895328
Formula: C28H38O10
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass534.24649740
Monoisotopic Mass534.24649740
Topological Polar Surface Area143 Ų
Heavy Atom Count38
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5761994Bulleyanin

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