Hypocrellin A

CAS Registry Number®

77029-83-5
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CAS Name

Hypocrellin A

Molecular Formula

C30H26O10

Molecular Mass

546.52

Cite this Page

Hypocrellin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77029-83-5 (retrieved 2024-09-19) (CAS RN: 77029-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,32-33,36H,9H2,1-6H3

InChIKey

InChIKey=BQJKVFXDDMQLBE-UHFFFAOYSA-N

SMILES

O(C)C1=C2C=3C4=C5C(=C6C3C(C1=O)=C(O)C=C6OC)C(OC)=CC(O)=C5C(=O)C(OC)=C4CC(C)(O)C2C(C)=O

Canonical SMILES

O=C1C(OC)=C2C=3C=4C1=C(O)C=C(OC)C4C=5C(OC)=CC(O)=C6C(=O)C(OC)=C(C3C65)C(C(=O)C)C(O)(C)C2

Other Names for this Substance

  • 1H-Cyclohepta[ghi]perylene-5,12-dione, 1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, stereoisomer
  • stereoisomer of 1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-5,12-dione
  • Hypocrellin A
  • Hypocrellin
  • (1R,2S,P)-Hypocrellin A

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Deleted or Replaced CAS Registry Numbers

127180-29-4, 150132-91-5