(+)-Vitisin C
CAS Registry Number®
180580-73-8
No image available.
CAS Name
(+)-Vitisin CMolecular Formula
C56H42O12Molecular Mass
906.93Cite this Page
(+)-Vitisin C. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=180580-73-8 (retrieved ) (CAS RN: 180580-73-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey
InChIKey=WZKKRZSJTLGPHH-WHSOPTDBSA-N
SMILES
OC1=CC(=C2[C@@H]([C@H](OC2=C1)C3=CC=C(O)C=C3)C4=CC(O)=CC(O)=C4)[C@H]5C=6C(O[C@H]5C7=CC=C(O)C=C7)=CC=C(/C=C/C8=C9[C@@H]([C@H](OC9=CC(O)=C8)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11)C6
Canonical SMILES
OC1=CC=C(C=C1)C2OC3=CC(O)=CC(C=CC4=CC=C5OC(C6=CC=C(O)C=C6)C(C5=C4)C=7C=C(O)C=C8OC(C9=CC=C(O)C=C9)C(C=%10C=C(O)C=C(O)C%10)C87)=C3C2C=%11C=C(O)C=C(O)C%11
Other Names for this Substance
- 1,3-Benzenediol, 5-[(2R,2′S,3S,3′S)-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, 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-[2α,3β,4[E[2S*,3R*(2′R*,3′R*)]]]]-
- 5-[(2R,2′S,3S,3′S)-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
- (+)-Vitisin C
- Vitisin C
