Copalic acid, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O2
Molecular Weight	304.4669
Optical Activity	( - )
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC(=C)[C@@H](CC\C(C)=C\C(O)=O)[C@]1(C)CCCC2(C)C

InChI

InChIKey=JFQBNOIJWROZGE-HPMXROJMSA-N

InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O2
Molecular Weight	304.4669
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:05:24 GMT 2023` Edited by `admin` on `Fri Dec 15 20:05:24 GMT 2023`
Record UNII	6LTQ2LP2NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Copalic acid, (-)-

Common Name

English

Copalic acid

Common Name

English

2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, [1R-[1α(E),4aβ,8aα]]-

Systematic Name

English

(2E)-5-[(1R,4aR,8aR)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-pentenoic acid

Systematic Name

English

2-Pentenoic acid, 5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)-

Systematic Name

English

(-)-Copalic acid

Common Name

English

ent-Copalic acid

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701316809

Created by admin on Fri Dec 15 20:05:24 GMT 2023 , Edited by admin on Fri Dec 15 20:05:24 GMT 2023

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CAS

20257-75-4

Created by admin on Fri Dec 15 20:05:24 GMT 2023 , Edited by admin on Fri Dec 15 20:05:24 GMT 2023

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PUBCHEM

11162521

Created by admin on Fri Dec 15 20:05:24 GMT 2023 , Edited by admin on Fri Dec 15 20:05:24 GMT 2023

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FDA UNII

6LTQ2LP2NB

Created by admin on Fri Dec 15 20:05:24 GMT 2023 , Edited by admin on Fri Dec 15 20:05:24 GMT 2023

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