ACETYL SIMVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O6
Molecular Weight	460.6029
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12

InChI

InChIKey=OHVWRJDVJRNCPE-BIKFJBPRSA-N

InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O6
Molecular Weight	460.6029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:17 GMT 2025`
Record UNII	171OXS3HEK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-ACETYLSIMVASTATIN

Preferred Name

English

ACETYL SIMVASTATIN

Common Name

English

(1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-(ACETYLOXY)-6-OXOTETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8AHEXAHYDRONAPHTHALEN-1-YL 2,2-DIMETHYLBUTANOATE

Systematic Name

English

BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-(ACETYLOXY)TETRAHYDRO-6-OXO-2H-PYRAN-2-YL)ETHYL)-1,2,3,7,8,8A-HEXAHYDRO-3,7-DIMETHYL-1-NAPHTHALENYL ESTER

Systematic Name

English

SIMVASTATIN IMPURITY B [EP IMPURITY]

Common Name

English

ACETYL SIMVASTATIN [USP-RS]

Common Name

English

SIMVASTATIN ACETATE

Common Name

English

SIMVASTATIN IMPURITY, ACETYL SIMVASTATIN- [USP IMPURITY]

Common Name

English

SIMVASTATIN ACETATE ESTER

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10163099