Xanthochymusside

CAS Registry Number®

31654-49-6

CAS Name

Xanthochymusside

Molecular Formula

C36H32O16

Molecular Mass

720.63

Cite this Page

Xanthochymusside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31654-49-6 (retrieved 2024-11-25) (CAS RN: 31654-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H32O16/c37-12-25-30(45)32(47)33(48)36(52-25)51-24-11-21(44)26-20(43)10-22(14-3-6-17(40)18(41)7-14)49-35(26)28(24)29-31(46)27-19(42)8-16(39)9-23(27)50-34(29)13-1-4-15(38)5-2-13/h1-9,11,22,25,29-30,32-34,36-42,44-45,47-48H,10,12H2/t22-,25+,29-,30+,32-,33+,34+,36+/m0/s1

InChIKey

InChIKey=XGQOXAVFFQEOBL-CALYIKIKSA-N

SMILES

O(C=1C(=C2C(=C(O)C1)C(=O)C[C@H](O2)C3=CC(O)=C(O)C=C3)[C@@H]4[C@H](OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

Canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C(=C2OC(C4=CC=C(O)C(O)=C4)C1)C5C(=O)C=6C(O)=CC(O)=CC6OC5C7=CC=C(O)C=C7

Other Names for this Substance

  • [3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2′-(3,4-dihydroxyphenyl)-7′-(β-D-glucopyranosyloxy)-2,2′,3,3′-tetrahydro-5,5′,7-trihydroxy-2-(4-hydroxyphenyl)-, (2S,2′S,3R)-
  • Xanthochymusside
  • [3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2′-(3,4-dihydroxyphenyl)-7′-(β-D-glucopyranosyloxy)-2,2′,3,3′-tetrahydro-5,5′,7-trihydroxy-2-(4-hydroxyphenyl)-, [2S-[2α,3β(R*)]]-
  • (2S,2′S,3R)-2′-(3,4-Dihydroxyphenyl)-7′-(β-D-glucopyranosyloxy)-2,2′,3,3′-tetrahydro-5,5′,7-trihydroxy-2-(4-hydroxyphenyl)[3,8′-bi-4H-1-benzopyran]-4,4′-dione

Deleted or Replaced CAS Registry Numbers

30315-00-5

CAS INSIGHTSTM
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