PHYTONADIONE, (Z)-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C31H46O2
Molecular Weight	450.6957
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C/CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=MBWXNTAXLNYFJB-ODDKJFTJSA-N

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H46O2
Molecular Weight	450.6957
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:09 UTC 2023` Edited by `admin` on `Sat Dec 16 10:31:09 UTC 2023`
Record UNII	222Q5Y8X26
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PHYTONADIONE, (Z)-(±)-

Common Name

English

1,4-NAPHTHALENEDIONE, 2-METHYL-3-((2Z,7R,11R)-3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-YL)-, REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9846607

Created by admin on Sat Dec 16 10:31:10 UTC 2023 , Edited by admin on Sat Dec 16 10:31:10 UTC 2023

PRIMARY

FDA UNII

222Q5Y8X26

Created by admin on Sat Dec 16 10:31:10 UTC 2023 , Edited by admin on Sat Dec 16 10:31:10 UTC 2023

PRIMARY

CAS

79082-95-4

Created by admin on Sat Dec 16 10:31:10 UTC 2023 , Edited by admin on Sat Dec 16 10:31:10 UTC 2023

PRIMARY