Artonin C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H38O10
Molecular Weight	678.7237
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)\C=C\C1=C(O)C=CC(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2C3=C(O)C(=CC=C3O)C(=O)\C=C\C4=C(O)C=C(O)C=C4)C5=C(O)C=C(O)C=C5)=C1O

InChI

InChIKey=JMWCPXJWKKIWQK-WAPLGSCZSA-N

InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+/t29-,30+,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H38O10
Molecular Weight	678.7237
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:08:14 GMT 2023` Edited by `admin` on `Sat Dec 16 16:08:14 GMT 2023`
Record UNII	RV3SX6X6BY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Artonin C

Common Name

English

(+)-Artonin C

Common Name

English

(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-[(1E)-3-methyl-1-buten-1-yl]benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one

Systematic Name

English

2-Propen-1-one, 1-[3-[6-[2,4-dihydroxy-3-(3-methyl-1-butenyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, [1S-[1α(E),5β,6α(E)]]-

Systematic Name

English

2-Propen-1-one, 1-[3-[(1S,5S,6R)-6-[2,4-dihydroxy-3-[(1E)-3-methyl-1-buten-1-yl]benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-, (2E)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90109859

Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023

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CAS

128553-97-9

Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023

PRIMARY

FDA UNII

RV3SX6X6BY

Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023

PRIMARY

PUBCHEM

14681572

Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023

PRIMARY