WILFORGINE

Possibly Marketed Outside US

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H47NO19
Molecular Weight	857.8072
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@H](C)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=QFIYSPKZWOALMZ-GTVWHPQGSA-N

InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31+,32-,33+,34-,38-,39-,40+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H47NO19
Molecular Weight	857.8072
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 08:07:01 GMT 2023` Edited by `admin` on `Sat Dec 16 08:07:01 GMT 2023`
Record UNII	YI1TYV074E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WILFORGINE

Common Name

English

3-FURANCARBOXYLIC ACID, (8R,9R,10R,11S,12R,13R,14R,15S,18S,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-21-HYDROXY-8,18,21-TRIMETHYL-5,17-DIOXO-8,11-EPOXY-9,12-ETHANO-11,15-METHANO-5H,11

Systematic Name

English

WILFORGIN

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501019950