Punicacortein D

CAS Registry Number®

103616-63-3

CAS Name

Punicacortein D

Molecular Formula

C48H28O30

Molecular Mass

1084.72

Cite this Page

Punicacortein D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103616-63-3 (retrieved 2024-11-25) (CAS RN: 103616-63-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2

InChIKey

InChIKey=FESAEKUFXJFTFG-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C=4C5=C(C=6C(=CC(O)=C(O)C6O)C(=O)OCC(O)C(OC(=O)C=7C(C2C(O)=C(O)C3OC5=O)=C(O)C(O)=C(O)C7)C8C9C(O)C%10=C(C(=O)O9)C(C=%11C(C(=O)O8)=CC(O)=C(O)C%11O)=C(O)C(O)=C%10O)C(O)=C(O)C4O1

Canonical SMILES

O=C1OC2=C(O)C(O)=C3C=4C(=O)OC5=C(O)C(O)=C(C1=C5C24)C6=C(O)C(O)=C(O)C=C6C(=O)OCC(O)C(OC(=O)C7=CC(O)=C(O)C(O)=C73)C8OC(=O)C9=CC(O)=C(O)C(O)=C9C%10=C(O)C(O)=C(O)C%11=C%10C(=O)OC8C%11O

Other Names for this Substance

  • Punicacortein D
  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-, cyclic 16,18-[2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]], stereoisomer
  • 2,20,1,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-11H,15H-tribenzo[g,i,q][1,5,12]trioxacyclononadecin, neovescalin deriv.
  • 4,7-Methanodibenzo[f,h][1,4]dioxecin, neovescalin deriv.
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran, neovescalin deriv.

CAS INSIGHTSTM
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