FLEXIRUBIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C43H54O4
Molecular Weight	634.8865
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	8
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCC1=C(OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2=CC(C)=C(O)C=C2)C=C(C)C=C1O

InChI

InChIKey=GFNJWVBJKYYUIN-CMUOTRNOSA-N

InChI=1S/C43H54O4/c1-4-5-6-7-8-9-17-20-23-26-29-39-41(45)33-36(2)34-42(39)47-43(46)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-40(44)37(3)35-38/h10-16,18-19,21-22,24-25,27-28,30-35,44-45H,4-9,17,20,23,26,29H2,1-3H3/b12-10+,13-11+,16-14+,18-15+,22-19+,24-21+,28-25+,30-27+

HIDE SMILES / InChI

Molecular Formula	C43H54O4
Molecular Weight	634.8865
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	8
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:21 UTC 2023` Edited by `admin` on `Sat Dec 16 10:44:21 UTC 2023`
Record UNII	SEG49MSH93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLEXIRUBIN

Common Name

English

2,4,6,8,10,12,14,16-HEPTADECAOCTAENOIC ACID, 17-(4-HYDROXY-3-METHYLPHENYL)-, 2-DODECYL-3-HYDROXY-5-METHYLPHENYL ESTER, (2E,4E,6E,8E,10E,12E,14E,16E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

6450309