WILFORTRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H47NO20
Molecular Weight	873.8066
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)C5=C(CC[C@@](C)(O)C(=O)O[C@@]([H])([C@H](OC(=O)C6=COC=C6)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O)N=CC=C5

InChI

InChIKey=JOKOHWLSQAZHFX-DQZYHKMLSA-N

InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37-,38+,39+,40-,41+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H47NO20
Molecular Weight	873.8066
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:26:38 GMT 2023` Edited by `admin` on `Sat Dec 16 17:26:38 GMT 2023`
Record UNII	9MVG0T4LUI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WILFORTRINE

Common Name

English

WILFORTRIN

Common Name

English

3-FURANCARBOXYLIC ACID, (8R,9R,10R,11S,12R,13R,14R,15S,18R,21S,22S,23R)-10,13,22,23-TETRAKIS(ACETYLOXY)-12-((ACETYLOXY)METHYL)-7,8,9,10,12,13,14,15,17,18,19,20-DODECAHYDRO-18,21-DIHYDROXY-8,18,21-TRIMETHYL-5,17-DIOXO-8,11-EPOXY-9,12-ETHANO-11,15-METHANO-

Systematic Name

English

EVONIMINE, 8-(ACETYLOXY)-O2-DEACETYL-8-DEOXO-O2-(3-FURANYLCARBONYL)-26-HYDROXY-, (8.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

102004803

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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EPA CompTox

DTXSID601045704

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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FDA UNII

9MVG0T4LUI

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

PRIMARY

CAS

37239-48-8

Created by admin on Sat Dec 16 17:26:38 GMT 2023 , Edited by admin on Sat Dec 16 17:26:38 GMT 2023

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