Hypericin

CAS Registry Number®

548-04-9
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CAS Name

Hypericin

Molecular Formula

C30H16O8

Molecular Mass

504.44

Cite this Page

Hypericin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=548-04-9 (retrieved 2024-04-19) (CAS RN: 548-04-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3

InChIKey

InChIKey=BTXNYTINYBABQR-UHFFFAOYSA-N

SMILES

CC1=C2C=3C4=C5C=6C(C=7C4=C(C(=O)C3C(O)=C1)C(O)=CC7O)=C(O)C=C(O)C6C(=O)C8=C5C2=C(C)C=C8O

Canonical SMILES

O=C1C2=C(O)C=C(O)C=3C=4C(O)=CC(O)=C5C(=O)C6=C(O)C=C(C7=C6C(C54)=C(C23)C8=C1C(O)=CC(=C87)C)C

Other Names for this Substance

  • Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer
  • stereoisomer of 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
  • Cyclosan
  • Cyclo-Werol
  • Hypericin

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Deleted or Replaced CAS Registry Numbers

345224-62-6, 935869-37-7, 693273-27-7

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