METHYL 7-OXODEHYDROABIETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O3
Molecular Weight	328.4452
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 7-OXODEHYDROABIETATE

Structure Search

SMILES

COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC(=O)C3=C2C=CC(=C3)C(C)C

InChI

InChIKey=URPBIQPJABGDJD-HMXCVIKNSA-N

InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O3
Molecular Weight	328.4452
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12444672

Methyl 7-Oxohydroabietate is an oxidation product of abietic acid and a known allergen. It has been shown to be cytotoxic against keratin forming tumor cells (KB cells).

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
[Diterpenoids from Chinese eaglewood].	2011-08	22066445
Synthesis and antimicrobial activities of novel 1H-dibenzo[a,c]carbazoles from dehydroabietic acid.	2010-10	20702006
Oxidation products of abietic acid and its methyl ester.	2002-11	12444672

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:59:58 GMT 2025` Edited by `admin` on `Mon Mar 31 18:59:58 GMT 2025`
Record UNII	U6MXZ2H3UY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 7-OXODEHYDROABIETATE

Common Name

English

NSC-2966

Preferred Name

English

METHYL(1R,4AS,10AR)-1,4A-DIMETHYL-9-OXO-7-PROPAN-2-YL-3,4,10,10A-TETRAHYDRO-2H-PHENANTHRENE-1-CARBOXYLATE

Common Name

English

Code System Code Type Description

FDA UNII

U6MXZ2H3UY