IEJIMALIDE D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H59N2O10S.Na
Molecular Weight	794.969
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CO[C@H]1CCC=C(C)\C=C\C[C@H](OC)\C=C(C)\C=C\[C@@H](C)\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](COS([O-])(=O)=O)NC=O

InChI

InChIKey=TWZQFGHLZFJBOO-AFPZUSELSA-M

InChI=1S/C41H60N2O10S.Na/c1-29-14-12-18-36(50-8)17-11-10-16-33(5)39(34(6)23-22-32(4)26-42-40(45)38(43-28-44)27-52-54(47,48)49)53-41(46)35(7)24-30(2)20-21-31(3)25-37(51-9)19-13-15-29;/h10-11,13-17,20-25,28,30,33,36-39H,12,18-19,26-27H2,1-9H3,(H,42,45)(H,43,44)(H,47,48,49);/q;+1/p-1/b15-13+,16-10+,17-11+,21-20+,29-14-,31-25+,32-22+,34-23+,35-24+;/t30-,33+,36-,37+,38+,39+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C41H59N2O10S
Molecular Weight	771.98
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:51:23 GMT 2025` Edited by `admin` on `Tue Apr 01 16:51:23 GMT 2025`
Record UNII	7XJ01ME50T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IEJIMALIDE D

Common Name

English

IEJIMALIDE D, (-)-

Preferred Name

English

PROPANAMIDE, N-((2E,4E)-5-((2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-DIMETHOXY-3,12,18,21,23-PENTAMETHYL-24-OXOOXACYCLOTETRACOSA-4,6,11,13,17,19,22-HEPTAEN-2-YL)-2-METHYL-2,4-HEXADIEN-1-YL)-2-(FORMYLAMINO)-3-(SULFOOXY)-, SODIUM SALT (1:1), (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

7XJ01ME50T

Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025

PRIMARY

PUBCHEM

21778415

Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025

PRIMARY

CAS

133613-81-7

Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025

PRIMARY

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IEJIMALIDE D FREE ACID

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