TRIANGULARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO5
Molecular Weight	335.3948
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](CCN1CC=C2COC(=O)C(\CO)=C/C)OC(=O)C(\C)=C/C

InChI

InChIKey=GOENJWUGVSLZDQ-NCLHDQKXSA-N

InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO5
Molecular Weight	335.3948
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:07:07 GMT 2023` Edited by `admin` on `Fri Dec 15 22:07:07 GMT 2023`
Record UNII	Y6S2FAL66K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIANGULARINE

Common Name

English

2-BUTENOIC ACID, 2-(HYDROXYMETHYL)-, (2,3,5,7A-TETRAHYDRO-1-((2-METHYL-1-OXO-2-BUTENYL)OXY)-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.(Z),7(Z),7A.BETA.))-

Common Name

English

2-BUTENOIC ACID, 2-(HYDROXYMETHYL)-, ((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2Z)-

Common Name

English

7-((Z)-2-METHYLBUT-2-ENOYL)-9-((Z)-2-HYDROXYMETHYLBUT-2-ENOYL)RETRONECINE

Common Name

English

Code System Code Type Description

CAS

87340-27-0