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Tinosporol B

CAT: 0013-GTR19180094Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180094Size:5 mg
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Description
Tinosporol B (CAS 2244777-13-5) is a research chemical used in life science studies. It is investigated in vitro for its potential biological activities, with applications in pharmacological and biochemical research fields.
CAS Number
2244777-13-5
Smiles
C[C@] (C[C@@H] (c1cocc1) OC1=O) ([C@H] (C2) [C@@] (C) (C=C3) C (C (OC) =O) =C[C@@H]2O) [C@@]13OC (C) =O
Molecular Formula
C23H26O8
Molecular Weight
430.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tinosporol B
CAS Number2244777-13-5
PubChem CID154804573
IUPAC Namemethyl (2S,4aR,6aR,9R,10aR,10bS)-4a-acetyloxy-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-2,9,10,10a-tetrahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular FormulaC23H26O8
Molecular Weight430.4
XLogP2.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity862
SMILES
CC(=O)O[C@]12C=C[C@@]3([C@H]([C@@]1(C[C@H](OC2=O)C4=COC=C4)C)C[C@H](C=C3C(=O)OC)O)C
InChI
InChI=1S/C23H26O8/c1-13(24)31-23-7-6-21(2)16(19(26)28-4)9-15(25)10-18(21)22(23,3)11-17(30-20(23)27)14-5-8-29-12-14/h5-9,12,15,17-18,25H,10-11H2,1-4H3/t15-,17-,18+,21-,22-,23-/m0/s1
InChIKey
BJRPUXNWUYOREF-CPDGTZSUSA-N
Chemical Structure
2D Structure
2D structure of Tinosporol B
CAS: 2244777-13-5
CID: 154804573
Formula: C23H26O8
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass430.16276778
Monoisotopic Mass430.16276778
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity862
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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