Epolactaene, (+)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H27NO6
Molecular Weight	389.4422
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C(=C\C)\C=C(C)\C=C\CC\C=C(/C)C(=O)[C@]12O[C@H]1C(C)(O)NC2=O

InChI

InChIKey=GFRNQYUCUNYIEN-ZLXMTJSISA-N

InChI=1S/C21H27NO6/c1-6-15(17(24)27-5)12-13(2)10-8-7-9-11-14(3)16(23)21-18(28-21)20(4,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-11+,15-6+/t18-,20?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO6
Molecular Weight	389.4422
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:05:28 GMT 2025` Edited by `admin` on `Wed Apr 02 10:05:28 GMT 2025`
Record UNII	4S7A4HLA92
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-Epolactaene

Preferred Name

English

Epolactaene, (+)-

Common Name

English

EPOLACTAENE

Common Name

English

3,5,9-Undecatrienoic acid, 2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2E,3E,5E,9E)-

Systematic Name

English

METHYL (2E,3E,5E,9E)-2-ETHYLIDENE-11-((1R,5R)-4-HYDROXY-4-METHYL-2-OXO-6-OXA-3-AZABICYCLO(3.1.0)HEX-1-YL)-4,10-DIMETHYL-11-OXO-3,5,9-UNDECATRIENOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301045462