AFP-07

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29F2O5.Na
Molecular Weight	434.4492
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CCC)[C@@]1([H])C(F)(F)\C(O2)=C\CCCC([O-])=O

InChI

InChIKey=GBCFWAJYJCSFCG-VZKWKQLNSA-M

InChI=1S/C22H30F2O5.Na/c1-3-4-5-8-14(2)16(25)12-11-15-17(26)13-18-21(15)22(23,24)19(29-18)9-6-7-10-20(27)28;/h9,11-12,14-18,21,25-26H,3,6-8,10,13H2,1-2H3,(H,27,28);/q;+1/p-1/b12-11+,19-9-;/t14-,15-,16+,17+,18-,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H29F2O5
Molecular Weight	411.4595
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:36:52 GMT 2023` Edited by `admin` on `Fri Dec 15 16:36:52 GMT 2023`
Record UNII	361J2D102B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFP-07

Common Name

English

PROSTA-5,13-DIEN-18-YN-1-OIC ACID, 6,9-EPOXY-7,7-DIFLUORO-11,15- DIHYDROXY-16,20-DIMETHYL-,MONOSODIUM SALT,(5Z,9R,11R,13E,15S,16S)-

Common Name

English

PROSTA-5,13-DIEN-18-YN-1-OIC ACID, 6,9-EPOXY-7,7-DIFLUORO-11,15-DIHYDROXY-16,20-DIMETHYL-, MONOSODIUM SALT, (5Z,9.ALPHA.,11.ALPHA.,13E,15S,16S)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50169035