ILICICOLIN F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31ClO6
Molecular Weight	462.963
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@H](CC(=O)[C@H](C)[C@@]1(C)\C=C\C(C)=C\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O)OC(C)=O

InChI

InChIKey=ACSLMZYXJATICN-IRMIYARYSA-N

InChI=1S/C25H31ClO6/c1-13(7-8-18-23(30)19(12-27)14(2)22(26)24(18)31)9-10-25(6)15(3)20(29)11-21(16(25)4)32-17(5)28/h7,9-10,12,15-16,21,30-31H,8,11H2,1-6H3/b10-9+,13-7+/t15-,16+,21-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H31ClO6
Molecular Weight	462.963
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:00:17 GMT 2023` Edited by `admin` on `Sat Dec 16 12:00:17 GMT 2023`
Record UNII	B1C42K12CT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ILICICOLIN F

Common Name

English

LL-Z1272.ZETA.

Code

English

3-((2E,4E)-5-((1S,2S,3S,6R)-3-(ACETYLOXY)-1,2,6-TRIMETHYL-5-OXOCYCLOHEXYL)-3-METHYL-2,4-PENTADIEN-1-YL)-5-CHLORO-2,4-DIHYDROXY-6-METHYLBENZALDEHYDE

Systematic Name

English

LL-Z 1272.ZETA.

Code

English

BENZALDEHYDE, 3-(5-(3-(ACETYLOXY)-1,2,6-TRIMETHYL-5-OXOCYCLOHEXYL)-3-METHYL-2,4-PENTADIENYL)-5-CHLORO-2,4-DIHYDROXY-6-METHYL-, (1S-(1.ALPHA.(2E,4E),2.BETA.,3.ALPHA.,6.BETA.))-

Systematic Name

English

BENZALDEHYDE, 3-((2E,4E)-5-((1S,2S,3S,6R)-3-(ACETYLOXY)-1,2,6-TRIMETHYL-5-OXOCYCLOHEXYL)-3-METHYL-2,4-PENTADIEN-1-YL)-5-CHLORO-2,4-DIHYDROXY-6-METHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

51136289

Created by admin on Sat Dec 16 12:00:17 GMT 2023 , Edited by admin on Sat Dec 16 12:00:17 GMT 2023

PRIMARY

FDA UNII

B1C42K12CT

Created by admin on Sat Dec 16 12:00:17 GMT 2023 , Edited by admin on Sat Dec 16 12:00:17 GMT 2023

PRIMARY

CAS

22738-98-3

Created by admin on Sat Dec 16 12:00:17 GMT 2023 , Edited by admin on Sat Dec 16 12:00:17 GMT 2023

PRIMARY

Related Record Type Details


					B1C42K12CT

ILICICOLIN F

ACTIVE MOIETY