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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48O6
Molecular Weight 528.7199
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-ACETYLQUINOVIC ACID

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C(O)=O)C(O)=O)[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C

InChI

InChIKey=HHCKJOUTBSMSAY-DPZQDLBJSA-N
InChI=1S/C32H48O6/c1-18-10-15-31(26(34)35)16-17-32(27(36)37)21(25(31)19(18)2)8-9-23-29(6)13-12-24(38-20(3)33)28(4,5)22(29)11-14-30(23,32)7/h8,18-19,22-25H,9-17H2,1-7H3,(H,34,35)(H,36,37)/t18-,19+,22+,23-,24+,25+,29+,30-,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H48O6
Molecular Weight 528.7199
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:48:46 GMT 2023
Edited
by admin
on Sat Dec 16 04:48:46 GMT 2023
Record UNII
FDV74G948Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-ACETYLQUINOVIC ACID
MI  
Common Name English
ACETYLQUINOVIC ACID
Common Name English
URS-12-ENE-27,28-DIOIC ACID, 3-(ACETYLOXY)-, (3.BETA.)-
Systematic Name English
O-ACETYLQUINOVIC ACID [MI]
Common Name English
ACETYLQUINOVAIC ACID
Common Name English
Code System Code Type Description
CAS
7346-27-2
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
PUBCHEM
21725981
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY
FDA UNII
FDV74G948Z
Created by admin on Sat Dec 16 04:48:46 GMT 2023 , Edited by admin on Sat Dec 16 04:48:46 GMT 2023
PRIMARY