Name: Taxine (mixture of Taxine B and iso-Taxine B) (~80%)
Brand: TRC
SKU: TRC-T100085

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Product Overview

Product Code

TRC-T100085

Product Format

Neat

Molecular Formula

2 C33 H45 N O8

Molecular Weight

1167.425

Product Categories

TRC, Impurity Reference Materials

Alternate CAS Number

Mixture of 1361-51-9 and 172617-92-4

Documentation

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Product Information

Analyte Name

Taxine (mixture of Taxine B and iso-Taxine B)

Molecular Formula

2 C33 H45 N O8

Molecular Weight

1167.425

Accurate Mass

1166.629

SMILES

CN(C)[C@H](CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)C(=O)C[C@@](O)([C@@H](O)[C@@H]2C1=C)C3(C)C)c4ccccc4.CN(C)[C@H](CC(=O)O[C@H]5CC[C@@]6(C)[C@@H](OC(=O)C)[C@H](O)C7=C(C)C(=O)C[C@@](O)([C@@H](O)[C@@H]6C5=C)C7(C)C)c8ccccc8

InChI

InChI=1S/2C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5;1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h2*9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t2*22-,24+,27+,28-,29+,30+,32-,33-/m11/s1

IUPAC

[(1S,2S,3R,5S,8R,9R,10R)-9-acetyloxy-1,2,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(dimethylamino)-3-phenylpropanoate;[(1S,2S,3R,5S,8R,9R,10R)-10-acetyloxy-1,2,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(dimethylamino)-3-phenylpropanoate

Alternate CAS Number

Mixture of 1361-51-9 and 172617-92-4

Storage Temperature

-20°C

Shipping Temperature

Blue Ice Dry Pack

Country of Origin

CANADA

Product Format

Neat

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Taxine (mixture of Taxine B and iso-Taxine B) (~80%)

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