Guavin A
CAS Registry Number®
CAS Name
Guavin AMolecular Formula
C56H40O32Molecular Mass
1224.90Cite this Page
Guavin A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=105581-34-8 (retrieved ) (CAS RN: 105581-34-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2
InChIKey
InChIKey=DOMGXWDOTMOBEH-UHFFFAOYSA-N
SMILES
OC12C3C4=C(C(C(OC4=O)C(OC(=O)C5=C3C(O1)=C(O)C(O)=C5)C6C(OC(=O)C7=CC(O)=C(O)C(O)=C7)COC(=O)C=8C(C=9C(C(=O)O6)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)C%10=C%11C(CC(O)C(O%11)C%12=CC(O)=C(O)C=C%12)=C(O)C=C%10O)C(=O)C2(O)O
Canonical SMILES
O=C(OC1COC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(C=8C(=O)OC4C(C=9C(O)=CC(O)=C%10C9OC(C%11=CC=C(O)C(O)=C%11)C(O)C%10)C8C(=O)C7(O)O)C65)C%12=CC(O)=C(O)C(O)=C%12
Other Names for this Substance
- Guavin A
- Neovescalin, 1,14-anhydro-11-de(6-carboxy-2,3,4-trihydroxyphenyl)-3,15-dideoxy-15-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-1,2,3,14b-tetrahydro-1,2-dihydroxy-3-oxo-, cyclic 16,18-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 17-(3,4,5-trihydroxybenzoate), stereoisomer
- 7H-Dibenzo[g,i][1,5]dioxacycloundecin, neovescalin deriv.
- 1,11-Methanobenzofuro[4,3,2-ghi][2,5]benzodioxecin, neovescalin deriv.