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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H51NO16
Molecular Weight 885.9049
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6?,3?-p-Dihydroxypaclitaxel

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5[C@@H](O)[C@H](O)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=C(O)C=C7

InChI

InChIKey=NEGGNAWLXHJUEM-FJMWQILYSA-N
InChI=1S/C47H51NO16/c1-23-30(62-43(58)33(52)32(26-17-19-29(51)20-18-26)48-41(56)27-13-9-7-10-14-27)21-47(59)40(63-42(57)28-15-11-8-12-16-28)36-45(6,38(55)35(61-24(2)49)31(23)44(47,4)5)37(54)34(53)39-46(36,22-60-39)64-25(3)50/h7-20,30,32-37,39-40,51-54,59H,21-22H2,1-6H3,(H,48,56)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6?,3?-p-Dihydroxypaclitaxel
Systematic Name English
Benzenepropanoic acid, ?-(benzoylamino)-?,4-dihydroxy-, (2aR,3S,4R,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-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4
Preferred Name English
Code System Code Type Description
FDA UNII
AR42T7GK6D
Created by admin on Wed Apr 02 17:31:56 GMT 2025 , Edited by admin on Wed Apr 02 17:31:56 GMT 2025
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CAS
157230-10-9
Created by admin on Wed Apr 02 17:31:56 GMT 2025 , Edited by admin on Wed Apr 02 17:31:56 GMT 2025
PRIMARY
PUBCHEM
158371
Created by admin on Wed Apr 02 17:31:56 GMT 2025 , Edited by admin on Wed Apr 02 17:31:56 GMT 2025
PRIMARY