Vitisin A (stilbenoid)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H42O12
Molecular Weight	906.9255
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC2=CC(O)=CC(\C=C\C3=CC=C(O)C(=C3)[C@@]4([H])C5=C6C(O[C@]([H])(C7=CC=C(O)C=C7)[C@@]6([H])C8=CC(O)=CC(O)=C8[C@]4([H])C9=CC=C(O)C=C9)=CC(O)=C5)=C2[C@]1([H])C%10=CC(O)=CC(O)=C%10)C%11=CC=C(O)C=C%11

InChI

InChIKey=XAXVWWYPKOGXSY-DBHYGPPCSA-N

InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H42O12
Molecular Weight	906.9255
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:54 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:54 GMT 2023`
Record UNII	832N5294M6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vitisin A (stilbenoid)

Common Name

English

VITISIN A (VITIS COIGNETIAE)

Common Name

English

BENZO(6,7)CYCLOHEPTA(1,2,3-CD)BENZOFURAN-4,8,10-TRIOL, 6-(5-((1E)-2-((2S,3S)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2-HYDROXYPHENYL)-1,6,7,11B-TETRAHYDRO-1,7-BIS(4-HYDROXYPHENYL)-, (1S,6R,7S,11BS)-

Systematic Name

English

BENZO(6,7)CYCLOHEPTA(1,2,3-CD)BENZOFURAN-4,8,10-TRIOL, 6-(5-(2-(3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2-HYDROXYPHENYL)-1,6,7,11B-TETRAHYDRO-1,7-BIS(4-HYDROXYPHENYL)-

Systematic Name

English

(1S,6R,7S,11BS)-6-(5-((1E)-2-((2S,3S)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2-HYDROXYPHENYL)-1,6,7,11B-TETRAHYDRO-1,7-BIS(4-HYDROXYPHENYL)BENZO(6,7)CYCLOHEPTA(1,2,3-CD)BENZOFURAN-4,8,10-TRIOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901029696