Heterophylliin D

CAS Registry Number®

135308-99-5

CAS Name

Heterophylliin D

Molecular Formula

C82H54O52

Molecular Mass

1871.28

Cite this Page

Heterophylliin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135308-99-5 (retrieved 2025-02-26) (CAS RN: 135308-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H54O52/c83-24-1-14(2-25(84)45(24)93)71(112)133-81-69-67(129-76(117)18-6-29(88)48(96)57(105)39(18)41-20(78(119)131-69)8-31(90)50(98)59(41)107)65-35(125-81)13-123-73(114)22-11-34(54(102)62(110)44(22)43-17(75(116)127-65)5-28(87)52(100)61(43)109)124-64-23(10-33(92)53(101)63(64)111)80(121)134-82-70-68(130-77(118)19-7-30(89)49(97)58(106)40(19)42-21(79(120)132-70)9-32(91)51(99)60(42)108)66-36(126-82)12-122-72(113)15-3-26(85)46(94)55(103)37(15)38-16(74(115)128-66)4-27(86)47(95)56(38)104/h1-11,35-36,65-70,81-111H,12-13H2

InChIKey

InChIKey=ORFBKJHXSVFIOK-UHFFFAOYSA-N

SMILES

O(C(=O)C1=C(OC=2C=C3C(=C(O)C2O)C=4C(C(=O)OC5C(COC3=O)OC(OC(=O)C6=CC(O)=C(O)C(O)=C6)C7C5OC(=O)C=8C(C=9C(C(=O)O7)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)=CC(O)=C(O)C4O)C(O)=C(O)C(O)=C1)C%10C%11C(C%12C(O%10)COC(=O)C=%13C(C=%14C(C(=O)O%12)=CC(O)=C(O)C%14O)=C(O)C(O)=C(O)C%13)OC(=O)C=%15C(C=%16C(C(=O)O%11)=CC(O)=C(O)C%16O)=C(O)C(O)=C(O)C%15

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)C8OC(=O)C9=CC(O)=C(O)C(O)=C9C%10=C(O)C(O)=C(O)C=C%10C(=O)OC8C6OC(=O)C%11=CC(O)=C(O)C(O)=C%11C5=C(O)C4O)C%12OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C%14C(=O)OC%12C2OC(=O)C%15=CC(O)=C(O)C(O)=C%15C%16=C(O)C(O)=C(O)C=C1%16

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 4→2′:6→2-[4-[6-[[[2,3:4,6-bis-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-β-D-glucopyranosyl]oxy]carbonyl]-2,3,4-trihydroxyphenoxy]-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer
  • Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Heterophylliin D