RPR-104952

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H53NO15
Molecular Weight	823.8786
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](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)OC(C)(C)CO)C6=CC=CC=C6

InChI

InChIKey=HABZZLXXUPZIJD-VCVYQWHSSA-N

InChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

RPR-104952

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2-HYDROXY-1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-O

Systematic Name

English

RPR-104952, (-)-

Code

English

Code System Code Type Description

PUBCHEM

15765778

Created by admin on Sat Dec 16 08:45:42 GMT 2023 , Edited by admin on Sat Dec 16 08:45:42 GMT 2023

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EPA CompTox

DTXSID30578106

Created by admin on Sat Dec 16 08:45:42 GMT 2023 , Edited by admin on Sat Dec 16 08:45:42 GMT 2023

PRIMARY

FDA UNII

I56A6D7JJV

Created by admin on Sat Dec 16 08:45:42 GMT 2023 , Edited by admin on Sat Dec 16 08:45:42 GMT 2023

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CAS

154044-57-2

Created by admin on Sat Dec 16 08:45:42 GMT 2023 , Edited by admin on Sat Dec 16 08:45:42 GMT 2023

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PARENT (METABOLITE)


					699121PHCA

DOCETAXEL ANHYDROUS

SUBSTANCE RECORD


					I56A6D7JJV

RPR-104952