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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H30O7
Molecular Weight 370.4373
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OXO-.ALPHA.-IONOL GLUCOSIDE, (6R,9S)-3-

SMILES

C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]2C(C)=CC(=O)CC2(C)C

InChI

InChIKey=SZOPSAFLRCYJCX-RBOSQNBPSA-N
InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OXO-.ALPHA.-IONOL GLUCOSIDE, (6R,9S)-3-
Common Name English
(4R)-4-((1E,3S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
Systematic Name English
(6R,9S)-3-OXO-.ALPHA.-IONOL .BETA.-D-GLUCOPYRANOSIDE
Common Name English
2-CYCLOHEXEN-1-ONE, 4-((1E,3S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-BUTEN-1-YL)-3,5,5-TRIMETHYL-, (4R)-
Systematic Name English
(6R,7E,9S)-9-HYDROXYMEGASTIGMA-4,7-DIEN-3-ONE 9-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
(6R,9S)-3-OXO-.ALPHA.-IONOL.BETA.-DGLUCOPYRANOSIDE
Common Name English
Code System Code Type Description
CAS
159813-37-3
Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023
PRIMARY
FDA UNII
3EEC4Q65S4
Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023
PRIMARY
PUBCHEM
21630888
Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023
PRIMARY