GREGATIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H22O5
Molecular Weight	294.3429
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC\C=C\C=C\[C@@]1(C)OC(C[C@@H](C)O)=C(C(=O)OC)C1=O

InChI

InChIKey=HAMHQIABIFPOMB-YCXXMOIZSA-N

InChI=1S/C16H22O5/c1-5-6-7-8-9-16(3)14(18)13(15(19)20-4)12(21-16)10-11(2)17/h6-9,11,17H,5,10H2,1-4H3/b7-6+,9-8+/t11-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H22O5
Molecular Weight	294.3429
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 `Wed Apr 02 12:05:29 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:29 GMT 2025`
Record UNII	2EJC7J266F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-GREGATIN D

Preferred Name

English

GREGATIN D

Common Name

English

ENT-ASPERTETRONIN B

Common Name

English

METHYL (5R)-5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-2-((2R)-2-HYDROXYPROPYL)-5-METHYL-4-OXO-3-FURANCARBOXYLATE

Systematic Name

English

2''-EPI-GREGATIN C

Common Name

English

3-FURANCARBOXYLIC ACID, 5-(1E,3E)-1,3-HEXADIEN-1-YL-4,5-DIHYDRO-2-((2R)-2-HYDROXYPROPYL)-5-METHYL-4-OXO-, METHYL ESTER, (5R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2EJC7J266F

Created by admin on Wed Apr 02 12:05:29 GMT 2025 , Edited by admin on Wed Apr 02 12:05:29 GMT 2025

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CAS

65831-50-7

Created by admin on Wed Apr 02 12:05:29 GMT 2025 , Edited by admin on Wed Apr 02 12:05:29 GMT 2025

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PUBCHEM

162624014

Created by admin on Wed Apr 02 12:05:29 GMT 2025 , Edited by admin on Wed Apr 02 12:05:29 GMT 2025

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