1′,4,4′′′,8′′-Tetrahydroxy-2,2′′′,3′,6′′-tetramethyl[1,2′:7′,2′′:7′′,1′′′-quaternaphthalene]-1′′,4′′,5,5′,5′′′,8,8′,8′′′-octone

CAS Registry Number®

30276-87-0
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CAS Name

1′,4,4′′′,8′′-Tetrahydroxy-2,2′′′,3′,6′′-tetramethyl[1,2′:7′,2′′:7′′,1′′′-quaternaphthalene]-1′′,4′′,5,5′,5′′′,8,8′,8′′′-octone

Molecular Formula

C44H26O12

Molecular Mass

746.67

Cite this Page

1′,4,4′′′,8′′-Tetrahydroxy-2,2′′′,3′,6′′-tetramethyl[1,2′:7′,2′′:7′′,1′′′-quaternaphthalene]-1′′,4′′,5,5′,5′′′,8,8′,8′′′-octone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30276-87-0 (retrieved 2024-05-18) (CAS RN: 30276-87-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H26O12/c1-15-9-21-27(49)13-19(41(53)35(21)43(55)33(15)31-17(3)11-29(51)37-23(45)5-7-25(47)39(31)37)20-14-28(50)22-10-16(2)34(44(56)36(22)42(20)54)32-18(4)12-30(52)38-24(46)6-8-26(48)40(32)38/h5-14,51-52,55-56H,1-4H3

InChIKey

InChIKey=HIBRRCAYIWFCBY-UHFFFAOYSA-N

SMILES

CC=1C(=C2C(=C(O)C1)C(=O)C=CC2=O)C=3C(O)=C4C(=CC3C)C(=O)C=C(C4=O)C=5C(=O)C=6C(C(=O)C5)=CC(C)=C(C6O)C7=C8C(=C(O)C=C7C)C(=O)C=CC8=O

Canonical SMILES

O=C1C=CC(=O)C=2C1=C(O)C=C(C2C3=C(O)C=4C(=O)C(=CC(=O)C4C=C3C)C5=CC(=O)C=6C=C(C(=C(O)C6C5=O)C7=C8C(=O)C=CC(=O)C8=C(O)C=C7C)C)C

Other Names for this Substance

  • [1,2′:7′,2′′:7′′,1′′′-Quaternaphthalene]-1′′,4′′,5,5′,5′′′,8,8′,8′′′-octone, 1′,4,4′′′,8′′-tetrahydroxy-2,2′′′,3′,6′′-tetramethyl-
  • 1′,4,4′′′,8′′-Tetrahydroxy-2,2′′′,3′,6′′-tetramethyl[1,2′:7′,2′′:7′′,1′′′-quaternaphthalene]-1′′,4′′,5,5′,5′′′,8,8′,8′′′-octone
  • Bisisodiospyrin

Deleted or Replaced CAS Registry Numbers

35698-63-6

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