VITISIN C

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=C(\C=C\C3=C4C(O[C@]([H])(C5=CC=C(O)C=C5)[C@@]4([H])C6=CC(O)=CC(O)=C6)=CC(O)=C3)C=C2[C@]1([H])C7=C8C(O[C@]([H])(C9=CC=C(O)C=C9)[C@@]8([H])C%10=CC(O)=CC(O)=C%10)=CC(O)=C7)C%11=CC=C(O)C=C%11

InChI

InChIKey=WZKKRZSJTLGPHH-WHSOPTDBSA-N

InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+/t50-,51-,52+,54+,55+,56-/m0/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 16:57:55 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:55 GMT 2023`
Record UNII	M2HXT5SWE2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VITISIN C

Common Name

English

5-((2R,2S,3S,3S)-5-((1E)-2-((2S,3S)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2,2,3,3-TETRAHYDRO-6-HYDROXY-2,2-BIS(4-HYDROXYPHENYL)(3,4-BIBENZOFURAN)-3-YL)-1,3-BENZENEDIOL

Systematic Name

English

(+)-VITISIN C

Common Name

English

1,3-BENZENEDIOL, 5-((2R,2S,3S,3S)-5-((1E)-2-((2S,3S)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2,2,3,3-TETRAHYDRO-6-HYDROXY-2,2-BIS(4-HYDROXYPHENYL)(3,4-BIBENZOFURAN)-3-YL)-

Systematic Name

English

1,3-BENZENEDIOL, 5-(5-(2-(3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)ETHENYL)-2,2,3,3-TETRAHYDRO-6-HYDROXY-2,2-BIS(4-HYDROXYPHENYL)(3,4-BIBENZOFURAN)-3-YL)-, (2S-(2.ALPHA.,3.BETA.,4(E(2S*,3R*(2R*,3R*)))))-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Vitisin C