Castalagin

CAS Registry Number®

24312-00-3
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CAS Name

Castalagin

Molecular Formula

C41H26O26

Molecular Mass

934.63

Cite this Page

Castalagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=24312-00-3 (retrieved 2024-04-19) (CAS RN: 24312-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2

InChIKey

InChIKey=UDYKDZHZAKSYCO-UHFFFAOYSA-N

SMILES

OC1=C2C3=C(C=4C(C(=O)OC5C(C(OC3=O)C6C(O)C7=C(C2=C(O)C(O)=C7O)C(=O)O6)OC(=O)C=8C(C=9C(C(=O)OC5)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)=CC(O)=C(O)C4O)C(O)=C1O

Canonical SMILES

O=C1OCC2OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C5=C4C(=O)OC(C6OC(=O)C7=C5C(O)=C(O)C(O)=C7C6O)C2OC(=O)C8=CC(O)=C(O)C(O)=C8C9=C(O)C(O)=C(O)C=C19

Other Names for this Substance

  • Castalagin
  • Vescalagin, (33β)-
  • 32H-29,5,9-(Epoxyethanylylidyne)-1,30-methano-14H,16H-dibenzo[h,o]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacycloheptadecin-14,18,27,32,35-pentone, 15a,28a,29,30-tetrahydro-2,3,4,6,7,8,10,11,12,20,21,22,23,24,25,33-hexadecahydroxy-, (4aS,9R,15aR,22aS,28aR,29R,30S,31R)-
  • NSC 297535
  • 1-epi-Vescalagin

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