9.ALPHA.-HYDROXYACETYLMERULIDIAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22O5
Molecular Weight	306.3536
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9.ALPHA.-HYDROXYACETYLMERULIDIAL

Structure Search

SMILES

CC(=O)O[C@@H]1[C@]2(C)C[C@]2(C=O)C(C=O)=C3CC(C)(C)C[C@]13O

InChI

InChIKey=RODDDNINLAQFRB-BSWAZPDLSA-N

InChI=1S/C17H22O5/c1-10(20)22-13-15(4)8-16(15,9-19)12(6-18)11-5-14(2,3)7-17(11,13)21/h6,9,13,21H,5,7-8H2,1-4H3/t13-,15+,16+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H22O5
Molecular Weight	306.3536
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:40:32 GMT 2025` Edited by `admin` on `Tue Apr 01 19:40:32 GMT 2025`
Record UNII	HJ14EE0041
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9.ALPHA.-HYDROXYACETYLMERULIDIAL

Common Name

English

9ALPHA-HYDROXYACETYLMERULIDIAL

Preferred Name

English

CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 6-(ACETYLOXY)-3,4,5,5A,6,6A-HEXAHYDRO-5A-HYDROXY-4,4,6A-TRIMETHYL-, (1AR,5AR,6R,6AR)-

Systematic Name

English

CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 6-(ACETYLOXY)-3,4,5,5A,6,6A-HEXAHYDRO-5A-HYDROXY-4,4,6A-TRIMETHYL-, (1AR-(1A.ALPHA.,5A.ALPHA.,6.BETA.,6A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

HJ14EE0041

Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025

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EPA CompTox

DTXSID50921514

Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025

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PUBCHEM

163945

Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025

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CAS

114838-69-6

Created by admin on Tue Apr 01 19:40:32 GMT 2025 , Edited by admin on Tue Apr 01 19:40:32 GMT 2025

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