7-O-(Triethylsilyl)paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H65NO14Si
Molecular Weight	968.167
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-O-(Triethylsilyl)paclitaxel

Structure Search

SMILES

[H][C@@]12C[C@H](O[Si](CC)(CC)CC)[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=LKHIBBPOJARUFY-RGZLSWIJSA-N

InChI=1S/C53H65NO14Si/c1-10-69(11-2,12-3)68-38-28-39-52(30-63-39,67-33(6)56)44-46(66-48(60)36-26-20-15-21-27-36)53(62)29-37(31(4)40(50(53,7)8)43(64-32(5)55)45(58)51(38,44)9)65-49(61)42(57)41(34-22-16-13-17-23-34)54-47(59)35-24-18-14-19-25-35/h13-27,37-39,41-44,46,57,62H,10-12,28-30H2,1-9H3,(H,54,59)/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H65NO14Si
Molecular Weight	968.167
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 19:14:53 GMT 2023` Edited by `admin` on `Sat Dec 16 19:14:53 GMT 2023`
Record UNII	UV2YY7E35G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-O-(Triethylsilyl)paclitaxel

Common Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-4-[(triethylsilyl)oxy]-7,11-methano-1H-cy

Systematic Name

English

7-(Triethylsilyl)taxol

Common Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(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-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl este

Systematic Name

English

PACLITAXEL IMPURITY K [EP IMPURITY]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

11115717

Created by admin on Sat Dec 16 19:14:53 GMT 2023 , Edited by admin on Sat Dec 16 19:14:53 GMT 2023

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CAS

148930-55-6

Created by admin on Sat Dec 16 19:14:53 GMT 2023 , Edited by admin on Sat Dec 16 19:14:53 GMT 2023

PRIMARY

EPA CompTox

DTXSID00455637

Created by admin on Sat Dec 16 19:14:53 GMT 2023 , Edited by admin on Sat Dec 16 19:14:53 GMT 2023

PRIMARY

FDA UNII

UV2YY7E35G

Created by admin on Sat Dec 16 19:14:53 GMT 2023 , Edited by admin on Sat Dec 16 19:14:53 GMT 2023

PRIMARY

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