7-Xylosyltaxol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H59NO18
Molecular Weight	986.0208
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C5=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C6=CC=CC=C6)[C@]4([H])[C@@]1(CO2)OC(C)=O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChIKey=ZVEGOBHUZTXSFK-TZIKQHFSSA-N

InChI=1S/C52H59NO18/c1-26-33(68-47(63)39(58)37(29-16-10-7-11-17-29)53-45(61)30-18-12-8-13-19-30)23-52(64)44(70-46(62)31-20-14-9-15-21-31)42-50(6,43(60)41(67-27(2)54)36(26)49(52,4)5)34(22-35-51(42,25-66-35)71-28(3)55)69-48-40(59)38(57)32(56)24-65-48/h7-21,32-35,37-42,44,48,56-59,64H,22-25H2,1-6H3,(H,53,61)/t32-,33+,34+,35-,37+,38+,39-,40-,41-,42+,44+,48+,50-,51+,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H59NO18
Molecular Weight	986.0208
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:21:38 GMT 2023` Edited by `admin` on `Sat Dec 16 20:21:38 GMT 2023`
Record UNII	4W5FWK9L2W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Xylosyltaxol

Systematic Name

English

7-Xylosylpaclitaxel

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-(D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl este

Systematic Name

English

Taxol-7-xyloside

Common Name

English

(2aR,4S,4aS,6R,9S,11S,12S,12aR)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-meth

Systematic Name

English

7-(β-Xylosyl)taxol

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-(D-xylopyranosyloxy)-7,11-methano-1H-cy

Systematic Name

English

Code System Code Type Description

PUBCHEM

11094265

Created by admin on Sat Dec 16 20:21:38 GMT 2023 , Edited by admin on Sat Dec 16 20:21:38 GMT 2023

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FDA UNII

4W5FWK9L2W

Created by admin on Sat Dec 16 20:21:38 GMT 2023 , Edited by admin on Sat Dec 16 20:21:38 GMT 2023

PRIMARY

CAS

90332-66-4

Created by admin on Sat Dec 16 20:21:38 GMT 2023 , Edited by admin on Sat Dec 16 20:21:38 GMT 2023

PRIMARY