Kuwanol E, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H38O9
Molecular Weight	650.7136
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC1=C(O)C=CC(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2C3=C(O)C=C(\C=C\C4=C(O)C=C(O)C=C4)C=C3O)C5=C(O)C=C(O)C=C5)=C1O

InChI

InChIKey=HGFWVFTZYRJFRI-QMJWHCKBSA-N

InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H38O9
Molecular Weight	650.7136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:02:49 GMT 2023` Edited by `admin` on `Sat Dec 16 16:02:49 GMT 2023`
Record UNII	NXY2B6VW5X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Kuwanol E, (+)-

Common Name

English

Kuwanol E

Common Name

English

Methanone, [2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl][6-(2,4-dihydroxyphenyl)-2-[4-[2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methyl-3-cyclohexen-1-yl]-, [1R-[1α,2α(E),6β]]-

Systematic Name

English

[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl][(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methyl-3-cyclohexen-1-yl]methanone

Systematic Name

English

Methanone, [2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl][(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methyl-3-cyclohexen-1-yl]-

Systematic Name

English

(+)-Kuwanol E

Common Name

English

Code System Code Type Description

CAS

125850-38-6

Created by admin on Sat Dec 16 16:02:49 GMT 2023 , Edited by admin on Sat Dec 16 16:02:49 GMT 2023

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EPA CompTox

DTXSID70109873

Created by admin on Sat Dec 16 16:02:49 GMT 2023 , Edited by admin on Sat Dec 16 16:02:49 GMT 2023

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FDA UNII

NXY2B6VW5X

Created by admin on Sat Dec 16 16:02:49 GMT 2023 , Edited by admin on Sat Dec 16 16:02:49 GMT 2023

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PUBCHEM

101685339

Created by admin on Sat Dec 16 16:02:49 GMT 2023 , Edited by admin on Sat Dec 16 16:02:49 GMT 2023

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