PHYTONADIONE EPOXIDE, (E,2S,3R)-

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)-

Structure Search

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

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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

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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

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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

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