ETHYL ABIETATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H34O2
Molecular Weight	330.5042
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL ABIETATE

Structure Search

SMILES

CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C

InChI

InChIKey=AGUBCDYYAKENKG-YVNJGZBMSA-N

InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H34O2
Molecular Weight	330.5042
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:54:21 GMT 2025` Edited by `admin` on `Mon Mar 31 19:54:21 GMT 2025`
Record UNII	46YCT42ESP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABIETIC ACID, ETHYL ESTER

Preferred Name

English

ETHYL ABIETATE

Common Name

English

1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, ETHYL ESTER, (1R,4AR,4BR,10AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

61182

Created by admin on Mon Mar 31 19:54:21 GMT 2025 , Edited by admin on Mon Mar 31 19:54:21 GMT 2025

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ECHA (EC/EINECS)

211-166-0

Created by admin on Mon Mar 31 19:54:21 GMT 2025 , Edited by admin on Mon Mar 31 19:54:21 GMT 2025

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CAS

631-71-0

Created by admin on Mon Mar 31 19:54:21 GMT 2025 , Edited by admin on Mon Mar 31 19:54:21 GMT 2025

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FDA UNII

46YCT42ESP

Created by admin on Mon Mar 31 19:54:21 GMT 2025 , Edited by admin on Mon Mar 31 19:54:21 GMT 2025

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EPA CompTox

DTXSID50212434

Created by admin on Mon Mar 31 19:54:21 GMT 2025 , Edited by admin on Mon Mar 31 19:54:21 GMT 2025

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