Rugosin D

CAS Registry Number®

84754-11-0
No image available.

CAS Name

Rugosin D

Molecular Formula

C82H58O52

Molecular Mass

1875.31

Cite this Page

Rugosin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84754-11-0 (retrieved 2024-09-19) (CAS RN: 84754-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2

InChIKey

InChIKey=LELFYNPFJFAEND-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(OC(OC(=O)C4=C(OC=5C=C6C(=C(O)C5O)C=7C(C(=O)OC8C(COC6=O)OC(OC(=O)C9=CC(O)=C(O)C(O)=C9)C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)C8OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=CC(O)=C(O)C7O)C(O)=C(O)C(O)=C4)C2OC(=O)C%12=CC(O)=C(O)C(O)=C%12)COC(=O)C=%13C(C=%14C(C(=O)O3)=CC(O)=C(O)C%14O)=C(O)C(O)=C(O)C%13

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3OC=4C=C5C(=O)OCC6OC(OC(=O)C7=CC(O)=C(O)C(O)=C7)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)C6OC(=O)C%10=CC(O)=C(O)C(O)=C%10C5=C(O)C4O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)C2OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C1%14

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 4→2′:6→2-[(1S)-4-[6-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3,4-trihydroxyphenoxy]-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate), stereoisomer
  • β-D-Glucopyranose, cyclic 4→2′:6→2-[4-[6-[[[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3,4-trihydroxyphenoxy]-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate), stereoisomer
  • Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Rugosin D