Vescalin

CAS Registry Number®

34112-28-2
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CAS Name

Vescalin

Molecular Formula

C27H20O18

Molecular Mass

632.44

Cite this Page

Vescalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34112-28-2 (retrieved 2024-08-31) (CAS RN: 34112-28-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2

InChIKey

InChIKey=PPUHUWSVCUJGTD-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C=4C5=C(C(O)C(C(O1)C(O)C(CO)OC(=O)C=6C(C2C(O)=C(O)C3O)=C(O)C(O)=C(O)C6)OC5=O)C(O)=C(O)C4O

Canonical SMILES

O=C1OC(CO)C(O)C2OC(=O)C=3C(=C(O)C(O)=C(O)C3C=4C(O)=C(O)C(O)=C5C4C(=O)OC2C5O)C=6C(O)=C(O)C(O)=CC16

Other Names for this Substance

  • Vescalin
  • Neovescalin, intramol. 25,17-ester
  • 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin, neovescalin deriv.
  • (-)-Vescalin