DENDROIDINIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O4
Molecular Weight	402.5668
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC=C(C)[C@@H](CC\C(C)=C\C(O)=O)[C@]1(C)C[C@@H](CC2(C)C)OC(=O)C(\C)=C/C

InChI

InChIKey=LEMSFGHOXFQURQ-UQEHDDPDSA-N

InChI=1S/C25H38O4/c1-8-17(3)23(28)29-19-14-24(5,6)21-12-10-18(4)20(25(21,7)15-19)11-9-16(2)13-22(26)27/h8,10,13,19-21H,9,11-12,14-15H2,1-7H3,(H,26,27)/b16-13+,17-8-/t19-,20-,21-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O4
Molecular Weight	402.5668
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:16:48 UTC 2023` Edited by `admin` on `Fri Dec 15 20:16:48 UTC 2023`
Record UNII	SS4OX2DS8O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DENDROIDINIC ACID

Common Name

English

2-PENTENOIC ACID, 3-METHYL-5-((1R,4AR,7R,8AR)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-2,5,5,8A-TETRAMETHYL-7-(((2Z)-2-METHYL-1-OXO-2-BUTENYL)OXY)-1-NAPHTHALENYL)-

Common Name

English

2-PENTENOIC ACID, 3-METHYL-5-((1R,4AR,7R,8AR)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-2,5,5,8A-TETRAMETHYL-7-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-1-NAPHTHALENYL)-

Common Name

English

2-PENTENOIC ACID, 3-METHYL-5-(1,4,4A,5,6,7,8,8A-OCTAHYDRO-2,5,5,8A-TETRAMETHYL-7-((2-METHYL-1-OXO-2-BUTENYL)OXY)-1-NAPHTHALENYL)-, (1R-(1.ALPHA.,4A.BETA.,7.BETA.(Z),8A.ALPHA.))-

Common Name

English

Code System Code Type Description

FDA UNII

SS4OX2DS8O

Created by admin on Fri Dec 15 20:16:48 UTC 2023 , Edited by admin on Fri Dec 15 20:16:48 UTC 2023

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EPA CompTox

DTXSID90212493

Created by admin on Fri Dec 15 20:16:48 UTC 2023 , Edited by admin on Fri Dec 15 20:16:48 UTC 2023

PRIMARY

PUBCHEM

71587216

Created by admin on Fri Dec 15 20:16:48 UTC 2023 , Edited by admin on Fri Dec 15 20:16:48 UTC 2023

PRIMARY

CAS

63147-19-3

Created by admin on Fri Dec 15 20:16:48 UTC 2023 , Edited by admin on Fri Dec 15 20:16:48 UTC 2023

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