RPR-104943

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H49NO15
Molecular Weight	819.8469
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](N6C(=O)OC(C)(C)C6=O)C7=CC=CC=C7

InChI

InChIKey=WZZFVRAJNWWNDL-AYORVWLJSA-N

InChI=1S/C43H49NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,46-48,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

RPR-104943

Common Name

English

3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-.BETA.-PHENYL-, (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-OXO-7,11-METH

Systematic Name

English

RPR-104943, (-)-

Code

English

Code System Code Type Description

EPA CompTox

DTXSID90578107

Created by admin on Sat Dec 16 08:45:43 GMT 2023 , Edited by admin on Sat Dec 16 08:45:43 GMT 2023

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PUBCHEM

15765782

Created by admin on Sat Dec 16 08:45:43 GMT 2023 , Edited by admin on Sat Dec 16 08:45:43 GMT 2023

PRIMARY

FDA UNII

49E4SSQ1AG

Created by admin on Sat Dec 16 08:45:43 GMT 2023 , Edited by admin on Sat Dec 16 08:45:43 GMT 2023

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CAS

157067-34-0

Created by admin on Sat Dec 16 08:45:43 GMT 2023 , Edited by admin on Sat Dec 16 08:45:43 GMT 2023

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PARENT (METABOLITE)


					699121PHCA

DOCETAXEL ANHYDROUS

SUBSTANCE RECORD


					49E4SSQ1AG

RPR-104943