GRINDELIC ACID METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O3
Molecular Weight	334.4929
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GRINDELIC ACID METHYL ESTER

Structure Search

SMILES

COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]3C(C)(C)CCC[C@]23C

InChI

InChIKey=TWPKVIVCLJTFPY-LRGNLBRXSA-N

InChI=1S/C21H34O3/c1-15-8-9-16-18(2,3)10-7-11-20(16,5)21(15)13-12-19(4,24-21)14-17(22)23-6/h8,16H,7,9-14H2,1-6H3/t16-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O3
Molecular Weight	334.4929
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 `Mon Mar 31 21:56:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:51 GMT 2025`
Record UNII	766CLX68VM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRINDELIC ACID METHYL ESTER

Common Name

English

GRINDELIC ACID METHYL ESTER [MI]

Preferred Name

English

SPIRO(FURAN-2(3H),1'(4'H)-NAPHTHALENE)-5-ACETIC ACID, 4,4'A,5,5',6',7',8',8'A-OCTAHYDRO-2',5,5',5',8'A-PENTAMETHYL-, METHYL ESTER, (1'R,4'AS,5S,8'AS)-

Systematic Name

English

LABD-7-EN-15-OIC ACID, 9,13-EPOXY-, METHYL ESTER

Systematic Name

English

METHYL GRINDELATE

Common Name

English

METHYL GRINDELOATE

Common Name

English

GRINDELIC ACID METHYL ESTER, (-)-

Common Name

English

Code System Code Type Description

CAS

1438-58-0

Created by admin on Mon Mar 31 21:56:51 GMT 2025 , Edited by admin on Mon Mar 31 21:56:51 GMT 2025

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MERCK INDEX

m5852

Created by admin on Mon Mar 31 21:56:51 GMT 2025 , Edited by admin on Mon Mar 31 21:56:51 GMT 2025

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Merck Index

FDA UNII

766CLX68VM

Created by admin on Mon Mar 31 21:56:51 GMT 2025 , Edited by admin on Mon Mar 31 21:56:51 GMT 2025

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PUBCHEM

7302450

Created by admin on Mon Mar 31 21:56:51 GMT 2025 , Edited by admin on Mon Mar 31 21:56:51 GMT 2025

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