IRIVERSICAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H52O3
Molecular Weight	472.7428
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

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	472.7428
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 `Fri Dec 15 21:50:03 UTC 2023` Edited by `admin` on `Fri Dec 15 21:50:03 UTC 2023`
Record UNII	3X1K7Q256V
Record Status	`Validated (UNII)`
Record Version

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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 Fri Dec 15 21:50:03 UTC 2023 , Edited by admin on Fri Dec 15 21:50:03 UTC 2023

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FDA UNII

3X1K7Q256V

Created by admin on Fri Dec 15 21:50:03 UTC 2023 , Edited by admin on Fri Dec 15 21:50:03 UTC 2023

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CAS

88478-01-7

Created by admin on Fri Dec 15 21:50:03 UTC 2023 , Edited by admin on Fri Dec 15 21:50:03 UTC 2023

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EPA CompTox

DTXSID40237070

Created by admin on Fri Dec 15 21:50:03 UTC 2023 , Edited by admin on Fri Dec 15 21:50:03 UTC 2023

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