WILFORDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H49NO19
Molecular Weight	883.8445
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=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=XQDBHSNYTFRCNJ-UDTLMCMUSA-N

InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H49NO19
Molecular Weight	883.8445
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 18:03:13 GMT 2023` Edited by `admin` on `Sat Dec 16 18:03:13 GMT 2023`
Record UNII	PU2C6Y564G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WILFORDINE

Common Name

English

WILFORDIN

Common 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-18,21-DIHYDROXY-8,18,21-TRIMETHYL-, (8R,9R,1

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

PU2C6Y564G

Created by admin on Sat Dec 16 18:03:14 GMT 2023 , Edited by admin on Sat Dec 16 18:03:14 GMT 2023

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CAS

37239-51-3

Created by admin on Sat Dec 16 18:03:14 GMT 2023 , Edited by admin on Sat Dec 16 18:03:14 GMT 2023

PRIMARY

EPA CompTox

DTXSID201019963

Created by admin on Sat Dec 16 18:03:14 GMT 2023 , Edited by admin on Sat Dec 16 18:03:14 GMT 2023

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PUBCHEM

14313856

Created by admin on Sat Dec 16 18:03:14 GMT 2023 , Edited by admin on Sat Dec 16 18:03:14 GMT 2023

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