IEJIMALIDE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H57N2O10S.Na
Molecular Weight	780.943
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(=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=LPNMNZOBSCASQD-BWPLXFDWSA-M

InChI=1S/C40H58N2O10S.Na/c1-29-13-11-17-35(49-7)16-10-9-15-33(5)39(52-38(44)24-22-30(2)19-20-31(3)25-36(50-8)18-12-14-29)34(6)23-21-32(4)26-41-40(45)37(42-28-43)27-51-53(46,47)48;/h9-10,12-16,19-25,28,30,33,35-37,39H,11,17-18,26-27H2,1-8H3,(H,41,45)(H,42,43)(H,46,47,48);/q;+1/p-1/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	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C40H57N2O10S
Molecular Weight	757.953
Charge	-1
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 `Sat Dec 16 11:43:41 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:41 GMT 2023`
Record UNII	6P2Q9BII6D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IEJIMALIDE C

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-(SULFOOXY)-, SODIUM SALT (1:1), (2S)-

Systematic Name

English

IEJIMALIDE C, (-)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21778414

Created by admin on Sat Dec 16 11:43:42 GMT 2023 , Edited by admin on Sat Dec 16 11:43:42 GMT 2023

PRIMARY

FDA UNII

6P2Q9BII6D

Created by admin on Sat Dec 16 11:43:42 GMT 2023 , Edited by admin on Sat Dec 16 11:43:42 GMT 2023

PRIMARY

CAS

133613-80-6

Created by admin on Sat Dec 16 11:43:42 GMT 2023 , Edited by admin on Sat Dec 16 11:43:42 GMT 2023

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IEJIMALIDE C FREE ACID

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