AJUGARIN-III

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H36O8
Molecular Weight	452.5378
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]2(O)CO)[C@@]1(C)CCC3=CC(=O)OC3

InChI

InChIKey=CKFVDHQBDIXHOT-PGQNDPHJSA-N

InChI=1S/C24H36O8/c1-15-10-20(32-17(3)27)24(14-31-16(2)26)19(6-5-8-23(24,29)13-25)22(15,4)9-7-18-11-21(28)30-12-18/h11,15,19-20,25,29H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H36O8
Molecular Weight	452.5378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:07:13 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:13 GMT 2025`
Record UNII	1DUU1OWA63
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-DIHYDROXY ANALOG OF AJUGARIN I

Preferred Name

English

AJUGARIN-III

Common Name

English

AJUGARIN-III [MI]

Common Name

English

2(5H)-FURANONE, 4-(2-((1S,2R,4S,4AR,5R,8AR)-4-(ACETYLOXY)-4A-((ACETYLOXY)METHYL)DECAHYDRO-5-HYDROXY-5-(HYDROXYMETHYL)-1,2-DIMETHYL-1-NAPHTHALENYL)ETHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1DUU1OWA63