SIGMOIDIN F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26O6
Molecular Weight	422.4703
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(C=C2C=CC(C)(C)OC2=C1O)[C@H]3CC(=O)C4=C(O)C=C(O)C=C4O3

InChI

InChIKey=WPVMLODCRMLWMB-HXUWFJFHSA-N

InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H26O6
Molecular Weight	422.4703
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:08:32 GMT 2023` Edited by `admin` on `Sat Dec 16 16:08:32 GMT 2023`
Record UNII	0IK34IT82U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIGMOIDIN F

Common Name

English

(2,6'-BI-2H-1-BENZOPYRAN)-4(3H)-ONE, 5,7,8'-TRIHYDROXY-2',2'-DIMETHYL-7'-(3-METHYL-2-BUTEN-1-YL)-, (2R)-

Systematic Name

English

(2,6'-BI-2H-1-BENZOPYRAN)-4(3H)-ONE, 5,7,8'-TRIHYDROXY-2',2'-DIMETHYL-7'-(3-METHYL-2-BUTENYL)-, (R)-

Systematic Name

English

(2R)-2-(2,2-DIMETHYL-7-(3-METHYLBUT-2-ENYL)-8-OXIDANYL-CHROMEN-6-YL)-5,7-BIS(OXIDANYL)-2,3-DIHYDROCHROMEN-4-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90925374

Created by admin on Sat Dec 16 16:08:32 GMT 2023 , Edited by admin on Sat Dec 16 16:08:32 GMT 2023

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CAS

126005-97-8

Created by admin on Sat Dec 16 16:08:32 GMT 2023 , Edited by admin on Sat Dec 16 16:08:32 GMT 2023

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FDA UNII

0IK34IT82U

Created by admin on Sat Dec 16 16:08:32 GMT 2023 , Edited by admin on Sat Dec 16 16:08:32 GMT 2023

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PUBCHEM

164215

Created by admin on Sat Dec 16 16:08:32 GMT 2023 , Edited by admin on Sat Dec 16 16:08:32 GMT 2023

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