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Hypocrellin B

CAS Registry Number®

123940-54-5
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CAS Name

Hypocrellin B

Molecular Formula

C30H24O9

Molecular Mass

528.51

Cite this Page

Hypocrellin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123940-54-5 (retrieved 2024-09-20) (CAS RN: 123940-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    261-263 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H24O9/c1-10-7-12-18-23-19(27(34)29(12)38-5)13(32)8-15(36-3)21(23)22-16(37-4)9-14(33)20-25(22)24(18)26(17(10)11(2)31)30(39-6)28(20)35/h8-9,32-33H,7H2,1-6H3

InChIKey

InChIKey=APTUSGMALOMQQL-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)=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)CC(=C2C(=O)C)C

Other Names for this Substance

  • 1H-Cyclohepta[ghi]perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
  • 3-Acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-5,12-dione
  • Hypocrellin B

Deleted or Replaced CAS Registry Numbers

123514-09-0