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Taxezopidine H

CAT: 0013-GTR19233234Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233234Size:5 mg
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Description
Taxezopidine H (CAS 205440-23-9) is a natural product employed as a reference standard in research. It is utilized in pharmacological studies, including in vitro assays, to investigate its biological activities and potential mechanisms of action.
CAS Number
205440-23-9
Smiles
C[C@]12[C@@H] (OC (C) =O) [C@H] (OC (C) =O) C=3C (C) (C) [C@] (C[C@@]1 (C (=C) [C@@H] (OC (/C=C/C4=CC=CC=C4) =O) C[C@@H]2OC (C) =O) [H]) (C[C@H] (O) C3C) [H]
Molecular Formula
C35H44O9
Molecular Weight
608.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Taxezopidine H

Taxezopidine H has been reported in Taxus cuspidata and Taxus wallichiana with data available.

CAS Number205440-23-9
PubChem CID10698948
IUPAC Name[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10-triacetyloxy-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
Molecular FormulaC35H44O9
Molecular Weight608.7
XLogP4.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1220
SMILES
CC1=C2[C@H]([C@@H]([C@]3([C@H](C[C@@H](C2(C)C)C[C@@H]1O)C(=C)[C@H](C[C@@H]3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1
InChIKey
SOSLCGUOOOQMEN-HNCSRTHDSA-N
Chemical Structure
2D Structure
2D structure of Taxezopidine H
CAS: 205440-23-9
CID: 10698948
Formula: C35H44O9
MW: 608.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.7
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass608.29853298
Monoisotopic Mass608.29853298
Topological Polar Surface Area125 Ų
Heavy Atom Count44
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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