Methyl marasmate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20O4
Molecular Weight	276.3276
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]3CC(C)(C)C[C@H]23

InChI

InChIKey=WWEGKHYWESCXOK-PDUOOLKUSA-N

InChI=1S/C16H20O4/c1-14(2)5-10-4-11(7-17)15(9-18)8-16(15,12(10)6-14)13(19)20-3/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H20O4
Molecular Weight	276.3276
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:46:18 GMT 2025` Edited by `admin` on `Wed Apr 02 12:46:18 GMT 2025`
Record UNII	MQ4LN968Y9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl marasmate

Common Name

English

CCRIS 1702

Preferred Name

English

Cycloprop[e]indene-1a(1H)-carboxylic acid, 6,6a-diformyl-1b,2,3,4,4a,6a-hexahydro-3,3-dimethyl-, methyl ester, (1aS,1bS,4aS,6aR)-

Systematic Name

English

Cycloprop[e]indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethyl-, methyl ester, [1aR-(1a?,3a?,6a?,6b?)]-

Systematic Name

English

Code System Code Type Description

CAS

2213-00-5

Created by admin on Wed Apr 02 12:46:18 GMT 2025 , Edited by admin on Wed Apr 02 12:46:18 GMT 2025

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EPA CompTox

DTXSID10944769

Created by admin on Wed Apr 02 12:46:18 GMT 2025 , Edited by admin on Wed Apr 02 12:46:18 GMT 2025

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FDA UNII

MQ4LN968Y9

Created by admin on Wed Apr 02 12:46:18 GMT 2025 , Edited by admin on Wed Apr 02 12:46:18 GMT 2025

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PUBCHEM

15625102

Created by admin on Wed Apr 02 12:46:18 GMT 2025 , Edited by admin on Wed Apr 02 12:46:18 GMT 2025

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Methyl marasmate, (±)-

RACEMATE -> ENANTIOMER

Amount: