7-ANGELYLRETRONECINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H19NO3
Molecular Weight	237.2949
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12

InChI

InChIKey=TYGYPIIOOQNWBU-BTRLNGJCSA-N

InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H19NO3
Molecular Weight	237.2949
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:36:09 GMT 2025` Edited by `admin` on `Mon Mar 31 19:36:09 GMT 2025`
Record UNII	9B793GX6WI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-(7R,8R)-1-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-3H-PYRROLIZINYL (Z)-2-METHYLBUT-2-ENOATE; 7-ANGELOYLRETRONECINE

Preferred Name

English

7-ANGELYLRETRONECINE

Common Name

English

RETRONECINE, 1-ANGELATE

Common Name

English

RETRONECINE, 7-(2-METHYLCROTONATE), (Z)-

Common Name

English

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

Common Name

English

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

Common Name

English

O-7-ANGELYLRETRONECINE

Common Name

English

7-ANGELOYLRETRONECINE

Common Name

English

Code System Code Type Description

PUBCHEM

6440943

Created by admin on Mon Mar 31 19:36:09 GMT 2025 , Edited by admin on Mon Mar 31 19:36:09 GMT 2025

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EPA CompTox

DTXSID70209043

Created by admin on Mon Mar 31 19:36:09 GMT 2025 , Edited by admin on Mon Mar 31 19:36:09 GMT 2025

PRIMARY

CAS

6029-82-9

Created by admin on Mon Mar 31 19:36:09 GMT 2025 , Edited by admin on Mon Mar 31 19:36:09 GMT 2025

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FDA UNII

9B793GX6WI

Created by admin on Mon Mar 31 19:36:09 GMT 2025 , Edited by admin on Mon Mar 31 19:36:09 GMT 2025

PRIMARY