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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H46O3
Molecular Weight 466.6951
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHYTONADIONE EPOXIDE, (E,2S,3R)-

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\C[C@@]12O[C@]1(C)C(=O)C3=C(C=CC=C3)C2=O

InChI

InChIKey=KUTXFBIHPWIDJQ-BTPXSFBUSA-N
InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H46O3
Molecular Weight 466.6951
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:07:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:07:28 GMT 2023
Record UNII
Q6K17X9Y3V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYTONADIONE EPOXIDE, (E,2S,3R)-
Common Name English
NAPHTH(2,3-B)OXIRENE-2,7-DIONE, 1A,7A-DIHYDRO-1A-METHYL-7A-(3,7,11,15-TETRAMETHYL-2-HEXADECENYL)-, (1AS-(1A.ALPHA.,7A.ALPHA.(2E,7S*,11S*)))-
Systematic Name English
Code System Code Type Description
PUBCHEM
90479364
Created by admin on Sat Dec 16 10:07:28 GMT 2023 , Edited by admin on Sat Dec 16 10:07:28 GMT 2023
PRIMARY
CAS
85955-78-8
Created by admin on Sat Dec 16 10:07:28 GMT 2023 , Edited by admin on Sat Dec 16 10:07:28 GMT 2023
PRIMARY
FDA UNII
Q6K17X9Y3V
Created by admin on Sat Dec 16 10:07:28 GMT 2023 , Edited by admin on Sat Dec 16 10:07:28 GMT 2023
PRIMARY