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Taxane

CAT: 1596-AR-P01050-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01050-02Size:25 Units
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CAS Number
1605-68-1
Synonyms
(4R,4aR,6S,9R,10S,12aS) -4,9,12a,13,13-pentamethyltetradecahydro-6,10-methanobenzo[10]annulene; 4R- (4?,4a?,6?,9?,10?,12a?) ]-Tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene; (7CI,8CI) -Taxane; Taxan; (4R,4aR,6S,9R,10S,12aR) -Tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene
Molecular Formula
C20H36
Molecular Weight
276.51
API Name
Paclitaxel

Chemical Information

Taxane

Taxane is a diterpene and a terpenoid fundamental parent.

CAS Number1605-68-1
PubChem CID9548828
IUPAC Name(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
Molecular FormulaC20H36
Molecular Weight276.5
XLogP8.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity355
SMILES
C[C@@H]1CCC[C@@]2([C@@H]1C[C@@H]3CC[C@H]([C@@H](C3(C)C)CC2)C)C
InChI
InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChIKey
DKPFODGZWDEEBT-QFIAKTPHSA-N
Chemical Structure
2D Structure
2D structure of Taxane
CAS: 1605-68-1
CID: 9548828
Formula: C20H36
MW: 276.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.5
XLogP38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass276.281701148
Monoisotopic Mass276.281701148
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity355
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

Related Products

CatalogName
AR-T01221-01Taxine A
AR-T01222-01Taxine B
AR-P01052-01Taxa-4,11-diene
AR-P01053-01Taxa-4 (20),11 (12) -diene

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