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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H49NO18
Molecular Weight 867.8451
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WILFORINE

SMILES

[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)C5=C(CC[C@H](C)C(=O)O[C@@]([H])([C@H](OC(=O)C6=CC=CC=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=ZOCKGJZEUVPPPI-QSNSFFMXSA-N
InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H49NO18
Molecular Weight 867.8451
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 08:25:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:23 GMT 2023
Record UNII
8YV57M7EYI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WILFORINE
Common Name English
EVONIMINE, 8-(ACETYLOXY)-O2-BENZOYL-O2-DEACETYL-8-DEOXO-, (8.ALPHA.)-
Systematic Name English
8,11-EPOXY-9,12-ETHANO-11,15-METHANO-5H,11H-(1,9)DIOXACYCLOOCTADECINO(4,3-B)PYRIDINE-5,17(18H)-DIONE, 10,13,22,23-TETRAKIS(ACETYLOXY)-12-((ACETYLOXY)METHYL)-14-(BENZOYLOXY)-7,8,9,10,12,13,14,15,19,20-DECAHYDRO-21-HYDROXY-8,18,21-TRIMETHYL-, (8R,9R,10R,11
Systematic Name English
26-DEOXYWILFORDINE
Common Name English
Code System Code Type Description
FDA UNII
8YV57M7EYI
Created by admin on Sat Dec 16 08:25:23 GMT 2023 , Edited by admin on Sat Dec 16 08:25:23 GMT 2023
PRIMARY
CHEBI
132150
Created by admin on Sat Dec 16 08:25:23 GMT 2023 , Edited by admin on Sat Dec 16 08:25:23 GMT 2023
PRIMARY
PUBCHEM
3002219
Created by admin on Sat Dec 16 08:25:23 GMT 2023 , Edited by admin on Sat Dec 16 08:25:23 GMT 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR