IEJIMALIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H58N2O7
Molecular Weight	678.8977
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1CCC=C(C)\C=C\C[C@H](OC)\C=C(C)\C=C\[C@@H](C)\C=C\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O

InChI

InChIKey=FAVMTJDTJCBNEZ-MDFWTKNVSA-N

InChI=1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H58N2O7
Molecular Weight	678.8977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:51:24 GMT 2025` Edited by `admin` on `Tue Apr 01 16:51:24 GMT 2025`
Record UNII	88N5U0H92U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IEJIMALIDE A, (-)-

Preferred Name

English

IEJIMALIDE A

Common Name

English

PROPANAMIDE, N-((2E,4E)-5-((2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-DIMETHOXY-3,12,18,21-TETRAMETHYL-24-OXOOXACYCLOTETRACOSA-4,6,11,13,17,19,22-HEPTAEN-2-YL)-2-METHYL-2,4-HEXADIEN-1-YL)-2-(FORMYLAMINO)-3-HYDROXY-, (2S)-

Systematic Name

English

Code System Code Type Description

CAS

117582-91-9

Created by admin on Tue Apr 01 16:51:24 GMT 2025 , Edited by admin on Tue Apr 01 16:51:24 GMT 2025

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PUBCHEM

16757020

Created by admin on Tue Apr 01 16:51:24 GMT 2025 , Edited by admin on Tue Apr 01 16:51:24 GMT 2025

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FDA UNII

88N5U0H92U

Created by admin on Tue Apr 01 16:51:24 GMT 2025 , Edited by admin on Tue Apr 01 16:51:24 GMT 2025

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EPA CompTox

DTXSID601098141

Created by admin on Tue Apr 01 16:51:24 GMT 2025 , Edited by admin on Tue Apr 01 16:51:24 GMT 2025

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