Magnesium abietate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C20H29O2.Mg
Molecular Weight	627.1911
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Mg++].[H][C@]12CCC(=CC1=CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C([O-])=O)C(C)C.[H][C@]45CCC(=CC4=CC[C@@]6([H])[C@@](C)(CCC[C@]56C)C([O-])=O)C(C)C

InChI

InChIKey=RVVVYWVQSZTDIK-JHZYRPMRSA-L

InChI=1S/2C20H30O2.Mg/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2/t2*16-,17+,19+,20+;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C20H29O2
Molecular Weight	301.4431
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	( - )

Molecular Formula	Mg
Molecular Weight	24.305
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:40:44 GMT 2023` Edited by `admin` on `Sat Dec 16 10:40:44 GMT 2023`
Record UNII	VND7CN6K8Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Magnesium abietate

Common Name

English

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, magnesium salt (2:1), (1R,4aR,4bR,10aR)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

249-999-7