Paclitaxel EP Impurity N

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For Research Use Only.

Size	Price	Stock	Quantity
250 mg	$199	In stock

Category

Diterpenoids

Cat.No.

NP1766

CAS

27548-93-2

Product Name

Paclitaxel EP Impurity N

Structure

Product Details

Description

Baccatin III is a tetracyclic diterpenoid isolated from the barks of Taxus yunnanensis. It can be used as an intermediate in the synthesis of paclitaxel.

Synonyms

4,10β-Bis(acetyloxy)-1,7β,13α-trihydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate; 13-O-de[(2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl]paclitaxel; Baccatin III; 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one; 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-; NSC 330753; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(Benzoyloxy)-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Molecular Weight

586.63

Molecular Formula

C31H38O11

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1

InChIKey

OVMSOCFBDVBLFW-VHLOTGQHSA-N

Boiling Point

713.6±60.0°C at 760 mmHg

Melting Point

243-245°C

Purity

≥95%

Density

1.38±0.1 g/cm3

Solubility

Soluble in Chloroform (Sparingly, Sonicated), Methanol (Slightly)

Appearance

White to Off-white Solid

Storage

Store at -20°C

Chemical Properties

White to Off-White Powder

Color

Yellow

Definition

ChEBI: A tetracyclic diterpenoid isolated from plant species of the genus Taxus.

Form

Powder

Hazard Class

Hazard Codes

6.1(b)

HS Code

29329990

Packaging

250 mg

Packing Groups

III

pKa

12.76±0.70(Predicted)

Refractive Index

1.5455-1.5475

RIDADR

1544

Risk Statements

45-46-22-36/37/38-48/20/22

Safety Statements

53-22-26-36/37/39-45-24/25

Stability

4 Year Shelf Life

Uses

A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species

Water Solubility

insoluble

WGK Germany

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