Ethyl 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-D-xylo-D-allo-dodeconate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O8
Molecular Weight	400.4633
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-D-xylo-D-allo-dodeconate

Structure Search

SMILES

[H][C@]12OC3(CCCCC3)O[C@@]1([H])[C@@]4([H])O[C@@H](CC(=O)OCC)CC[C@]4([H])O[C@@]2([H])[C@H](O)CO

InChI

InChIKey=ZJUHXWQDWMWQIB-UETVFZEGSA-N

InChI=1S/C20H32O8/c1-2-24-15(23)10-12-6-7-14-17(25-12)19-18(16(26-14)13(22)11-21)27-20(28-19)8-4-3-5-9-20/h12-14,16-19,21-22H,2-11H2,1H3/t12-,13-,14+,16+,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O8
Molecular Weight	400.4633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:02:20 GMT 2023` Edited by `admin` on `Sat Dec 16 20:02:20 GMT 2023`
Record UNII	RX5R473B8H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-D-xylo-D-allo-dodeconate

Systematic Name

English

D-xylo-D-allo-Dodeconic acid, 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-, ethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

RX5R473B8H

Created by admin on Sat Dec 16 20:02:20 GMT 2023 , Edited by admin on Sat Dec 16 20:02:20 GMT 2023

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PUBCHEM

146240182

Created by admin on Sat Dec 16 20:02:20 GMT 2023 , Edited by admin on Sat Dec 16 20:02:20 GMT 2023

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CAS

2230694-40-1

Created by admin on Sat Dec 16 20:02:20 GMT 2023 , Edited by admin on Sat Dec 16 20:02:20 GMT 2023

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