U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O4
Molecular Weight 264.3169
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.BETA.-HYDROXYMERULIDIAL

SMILES

C[C@@]12C[C@]1(C=O)C(C=O)=C3CC(C)(C)C[C@@]3(O)[C@@H]2O

InChI

InChIKey=YOHHEVRXKIVTMR-UNQGMJICSA-N
InChI=1S/C15H20O4/c1-12(2)4-9-10(5-16)14(8-17)7-13(14,3)11(18)15(9,19)6-12/h5,8,11,18-19H,4,6-7H2,1-3H3/t11-,13+,14+,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H20O4
Molecular Weight 264.3169
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 Sat Dec 16 09:41:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:27 GMT 2023
Record UNII
0259PYQ7EE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9.BETA.-HYDROXYMERULIDIAL
Common Name English
9BETA-HYDROXYMERULIDIAL
Common Name English
CYCLOPROP(F)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3,4,5,5A,6,6A-HEXAHYDRO-5A,6-DIHYDROXY-4,4,6A-TRIMETHYL-, (1AR-(1A.ALPHA.,5A.BETA.,6.BETA.,6A.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
0259PYQ7EE
Created by admin on Sat Dec 16 09:41:27 GMT 2023 , Edited by admin on Sat Dec 16 09:41:27 GMT 2023
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EPA CompTox
DTXSID70910900
Created by admin on Sat Dec 16 09:41:27 GMT 2023 , Edited by admin on Sat Dec 16 09:41:27 GMT 2023
PRIMARY
PUBCHEM
176098
Created by admin on Sat Dec 16 09:41:27 GMT 2023 , Edited by admin on Sat Dec 16 09:41:27 GMT 2023
PRIMARY
CAS
108893-58-9
Created by admin on Sat Dec 16 09:41:27 GMT 2023 , Edited by admin on Sat Dec 16 09:41:27 GMT 2023
PRIMARY