6-HYDROXYSIMVASTATIN, (6S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O6
Molecular Weight	434.5656
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-HYDROXYSIMVASTATIN, (6S)-

Structure Search

SMILES

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

InChI

InChIKey=WJKSTNFUSXHVRJ-ZEUMIXTGSA-N

InChI=1S/C25H38O6/c1-6-24(3,4)23(28)31-20-14-25(5,29)13-16-8-7-15(2)19(22(16)20)10-9-18-11-17(26)12-21(27)30-18/h7-8,13,15,17-20,22,26,29H,6,9-12,14H2,1-5H3/t15-,17+,18+,19-,20-,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O6
Molecular Weight	434.5656
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 19:59:01 GMT 2025` Edited by `admin` on `Mon Mar 31 19:59:01 GMT 2025`
Record UNII	5KRT0D2FNQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-HYDROXYSIMVASTATIN, (6S)-

Common Name

English

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

Preferred Name

English

SIMVASTATIN, 3-HYDROXY-, (3S)-

Common Name

English

SIMVASTATIN, 6-HYDROXY-, (6S)-

Common Name

English

BUTANOIC ACID, 2,2-DIMETHYL-, 1,2,3,7,8,8A-HEXAHYDRO-3-HYDROXY-3,7-DIMETHYL-8-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER, (1S-(1.ALPHA.,3.BETA.,7.BETA.,8.BETA.(2S*,4S*),8A.BETA.))-

Common Name

English

Code System Code Type Description

CAS

129464-60-4

Created by admin on Mon Mar 31 19:59:01 GMT 2025 , Edited by admin on Mon Mar 31 19:59:01 GMT 2025

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FDA UNII

5KRT0D2FNQ

Created by admin on Mon Mar 31 19:59:01 GMT 2025 , Edited by admin on Mon Mar 31 19:59:01 GMT 2025

PRIMARY

PUBCHEM

25221209

Created by admin on Mon Mar 31 19:59:01 GMT 2025 , Edited by admin on Mon Mar 31 19:59:01 GMT 2025

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EPA CompTox

DTXSID70156169

Created by admin on Mon Mar 31 19:59:01 GMT 2025 , Edited by admin on Mon Mar 31 19:59:01 GMT 2025

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