U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C66H81NO17
Molecular Weight 1160.3458
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PACLITAXEL 2'-LINOLEYL CARBONATE

SMILES

CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(=O)O[C@H]([C@@H](NC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)OC(C)=O

InChI

InChIKey=FGSNWFZAHNIDKT-SEWYIPPUSA-N
InChI=1S/C66H81NO17/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38-51(71)81-62(76)82-55(53(45-32-25-22-26-33-45)67-59(73)46-34-27-23-28-35-46)61(75)80-48-40-66(77)58(83-60(74)47-36-29-24-30-37-47)56-64(7,49(70)39-50-65(56,41-78-50)84-44(4)69)57(72)54(79-43(3)68)52(42(48)2)63(66,5)6/h12-13,15-16,22-30,32-37,48-50,53-56,58,70,77H,8-11,14,17-21,31,38-41H2,1-7H3,(H,67,73)/b13-12-,16-15-/t48-,49-,50+,53-,54+,55+,56-,58-,64+,65-,66+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PACLITAXEL 2'-LINOLEYL CARBONATE
Common Name English
LOC-PAC
Common Name English
Code System Code Type Description
PUBCHEM
76964551
Created by admin on Tue Oct 22 19:50:35 UTC 2019 , Edited by admin on Tue Oct 22 19:50:35 UTC 2019
PRIMARY
CAS
463952-62-7
Created by admin on Tue Oct 22 19:50:35 UTC 2019 , Edited by admin on Tue Oct 22 19:50:35 UTC 2019
PRIMARY
MANUFACTURER PRODUCT INFORMATION
LOC-PAC
Created by admin on Tue Oct 22 19:50:35 UTC 2019 , Edited by admin on Tue Oct 22 19:50:35 UTC 2019
PRIMARY