7-O-acetylpaclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H51NO14
Molecular Weight	853.9061
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=RCINICONZNJXQF-MZXODVADSA-N

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H51NO14
Molecular Weight	853.9061
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:10 UTC 2023` Edited by `admin` on `Sat Dec 16 19:28:10 UTC 2023`
Record UNII	3PPC5TL76P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

7-O-acetylpaclitaxel

Common Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2

Systematic Name

English

4,7β,10β-tris(acetyloxy)-13α-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1-hydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate

Systematic Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4

Systematic Name

English

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-hydroxyben

Systematic Name

English

PACLITAXEL IMPURITY L [EP IMPURITY]

Common Name

English

7-Acetyltaxol

Common Name

English

Code System Code Type Description

PUBCHEM

36314

Created by admin on Sat Dec 16 19:28:11 UTC 2023 , Edited by admin on Sat Dec 16 19:28:11 UTC 2023

PRIMARY

CAS

92950-39-5

Created by admin on Sat Dec 16 19:28:11 UTC 2023 , Edited by admin on Sat Dec 16 19:28:11 UTC 2023

PRIMARY

FDA UNII

3PPC5TL76P

Created by admin on Sat Dec 16 19:28:11 UTC 2023 , Edited by admin on Sat Dec 16 19:28:11 UTC 2023

PRIMARY

Related Record Type Details


					P88XT4IS4D

PACLITAXEL

PARENT -> IMPURITY

Amount: