ECHINATIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O5
Molecular Weight	486.6832
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@](C)([C@H](O)C[C@]1(C)CC[C@]3(C)C2=CC=C4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=LUDNTLCCTHHSHG-UXTDIXGMSA-N

InChI=1S/C30H46O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7-8,19-20,22-23,31-33H,9-17H2,1-6H3,(H,34,35)/t19-,20+,22-,23+,25-,26-,27-,28+,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O5
Molecular Weight	486.6832
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:18 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:18 GMT 2023`
Record UNII	D6DQ4424FF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECHINATIC ACID

Common Name

English

(3.BETA.,4.BETA.,20.ALPHA.,21.ALPHA.)-3,21,23-TRIHYDROXYOLEANA-9(11),12-DIEN-29-OIC ACID

Systematic Name

English

OLEANA-9(11),12-DIEN-29-OIC ACID, 3,21,23-TRIHYDROXY-, (3.BETA.,4.BETA.,20.ALPHA.,21.ALPHA.)-

Systematic Name

English

(2S,3R,4AS,6AR,6BS,8AR,9S,10S,12AS,14BR)-3,10-DIHYDROXY-9-(HYDROXYMETHYL)-2,4A,6A,6B,9,12A-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,14B-DODECAHYDROPICENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

26569-28-8

Created by admin on Sat Dec 16 18:51:18 GMT 2023 , Edited by admin on Sat Dec 16 18:51:18 GMT 2023

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FDA UNII

D6DQ4424FF

Created by admin on Sat Dec 16 18:51:18 GMT 2023 , Edited by admin on Sat Dec 16 18:51:18 GMT 2023

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PUBCHEM

101281211

Created by admin on Sat Dec 16 18:51:18 GMT 2023 , Edited by admin on Sat Dec 16 18:51:18 GMT 2023

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Related Record Type Details


					V6E722P1VB

GLYCYRRHIZA ECHINATA ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Echinatic acid, previously isolated from G. echinata roots, was isolated from G. macedonica roots.

Amount: