AJUGARIN-II

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H32O6
Molecular Weight	392.4859
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](O)[C@]2(COC(C)=O)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC4=CC(=O)OC4

InChI

InChIKey=QDGFAVMJPYRERF-FYHNCAPNSA-N

InChI=1S/C22H32O6/c1-14-9-18(24)22(13-27-15(2)23)17(5-4-7-21(22)12-28-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,24H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H32O6
Molecular Weight	392.4859
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 21:56:22 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:22 GMT 2025`
Record UNII	30Y1ZRM6UE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AJUGARIN-II

Common Name

English

8-HYDROXY ANALOG OF AJUGARIN I

Preferred Name

English

2(5H)-FURANONE, 4-(2-((1R,4AR,5S,6R,8S,8AR)-8A-((ACETYLOXY)METHYL)OCTAHYDRO-8-HYDROXY-5,6-DIMETHYLSPIRO(NAPHTHALENE-1(2H),2'-OXIRAN)-5-YL)ETHYL)-

Systematic Name

English

AJUGARIN-II [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m1460