Castalin

CAS Registry Number®

19086-75-0

CAS Name

Castalin

Molecular Formula

C27H20O18

Molecular Mass

632.44

Cite this Page

Castalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19086-75-0 (retrieved 2024-11-22) (CAS RN: 19086-75-0).  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

  • Castalin
  • 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin-5,12,23-trione, 7,8,9,10-tetrahydro-1,2,3,9,14,15,16,18,19,20,25-undecahydroxy-10-(hydroxymethyl)-
  • Neovescalin, intramol. 25,17-ester, (15β)-
  • 12H-8,17,21-(Epoxyethanylylidyne)-4,7-methano-5H-dibenzo[h,o][1,6]dioxacycloheptadecin, neovescalin deriv.
  • NSC 297536

Deleted or Replaced CAS Registry Numbers

21439-73-6