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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H52O3
Molecular Weight 472.7439
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of IRIVERSICAL

SMILES

CC(C)C(=C)CC/C(=C(\[H])/CC/C(=C(\[H])/CC[C@@]1(C)[C@]([H])(CCCO)/C(=C(/C)\C=O)/CC[C@]1(C)O)/C)/C

InChI

InChIKey=FNYATHKWPGEORD-FSIJEPPWSA-N
InChI=1S/C31H52O3/c1-23(2)26(5)17-16-25(4)13-9-12-24(3)14-10-19-30(7)29(15-11-21-32)28(27(6)22-33)18-20-31(30,8)34/h13-14,22-23,29,32,34H,5,9-12,15-21H2,1-4,6-8H3/b24-14+,25-13+,28-27-/t29-,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H52O3
Molecular Weight 472.7439
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:22:31 UTC 2021
Edited
by admin
on Sat Jun 26 13:22:31 UTC 2021
Record UNII
3X1K7Q256V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRIVERSICAL
Common Name English
PROPANAL, 2-(4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-(4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIENYL)CYCLOHEXYLIDENE)-, (2R-(1Z,2.ALPHA.,3.BETA.(3E,7E),4.ALPHA.))-
Common Name English
PROPANAL, 2-((2R,3S,4S)-4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-((3E,7E)-4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIEN-1-YL)CYCLOHEXYLIDENE)-, (2Z)-
Systematic Name English
PROPANAL, 2-((2R,3S,4S)-4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-((3E,7E)-4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIENYL)CYCLOHEXYLIDENE)-, (2Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71587326
Created by admin on Sat Jun 26 13:22:31 UTC 2021 , Edited by admin on Sat Jun 26 13:22:31 UTC 2021
PRIMARY
EPA CompTox
88478-01-7
Created by admin on Sat Jun 26 13:22:31 UTC 2021 , Edited by admin on Sat Jun 26 13:22:31 UTC 2021
PRIMARY
FDA UNII
3X1K7Q256V
Created by admin on Sat Jun 26 13:22:31 UTC 2021 , Edited by admin on Sat Jun 26 13:22:31 UTC 2021
PRIMARY
CAS
88478-01-7
Created by admin on Sat Jun 26 13:22:31 UTC 2021 , Edited by admin on Sat Jun 26 13:22:31 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT