2'-O-tert-Butyl(dimethyl)silyl-7-O-triethylsilyl-2-debenzoyl-4-desacetyl paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H73NO12Si2
Molecular Weight	936.2851
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2'-O-tert-Butyl(dimethyl)silyl-7-O-triethylsilyl-2-debenzoyl-4-desacetyl 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](O)[C@]3([H])[C@]1(O)CO2)C4(C)C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChIKey=HJLUMXKBLFPFLT-ZJYGDCDFSA-N

InChI=1S/C50H73NO12Si2/c1-14-65(15-2,16-3)62-35-27-36-49(57,29-59-36)41-43(54)50(58)28-34(30(4)37(47(50,9)10)39(60-31(5)52)42(53)48(35,41)11)61-45(56)40(63-64(12,13)46(6,7)8)38(32-23-19-17-20-24-32)51-44(55)33-25-21-18-22-26-33/h17-26,34-36,38-41,43,54,57-58H,14-16,27-29H2,1-13H3,(H,51,55)/t34-,35-,36+,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H73NO12Si2
Molecular Weight	936.2851
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 19:52:26 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:26 GMT 2023`
Record UNII	Q9W4QT7E7A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-O-tert-Butyl(dimethyl)silyl-7-O-triethylsilyl-2-debenzoyl-4-desacetyl paclitaxel

Common Name

English

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

Systematic Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11,12,12b-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]

Systematic Name

English

Code System Code Type Description

PUBCHEM

11768206

Created by admin on Sat Dec 16 19:52:26 GMT 2023 , Edited by admin on Sat Dec 16 19:52:26 GMT 2023

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CAS

160768-75-2

Created by admin on Sat Dec 16 19:52:26 GMT 2023 , Edited by admin on Sat Dec 16 19:52:26 GMT 2023

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FDA UNII

Q9W4QT7E7A

Created by admin on Sat Dec 16 19:52:26 GMT 2023 , Edited by admin on Sat Dec 16 19:52:26 GMT 2023

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