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Secalonic acid A

CAS Registry Number®

35287-72-0

CAS Name

Secalonic acid A

Molecular Formula

C32H30O14

Molecular Mass

638.57

Cite this Page

Secalonic acid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35287-72-0 (retrieved 2024-12-26) (CAS RN: 35287-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1

InChIKey

InChIKey=DRYDKQOPVBDZMQ-ZKHWAINJSA-N

SMILES

C(OC)(=O)[C@@]12C(C(=O)C=3C(O1)=CC=C(C3O)C=4C(O)=C5C(=CC4)O[C@@]6(C(OC)=O)C(C5=O)=C(O)C[C@@H](C)[C@@H]6O)=C(O)C[C@@H](C)[C@@H]2O

Canonical SMILES

O=C1C=2C(O)=C(C=CC2OC3(C(=O)OC)C1=C(O)CC(C)C3O)C4=CC=C5OC6(C(=O)OC)C(C(=O)C5=C4O)=C(O)CC(C)C6O

Other Names for this Substance

  • [7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid, 2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-, 4a,4′a-dimethyl ester, (3R,3′R,4S,4′S,4aS,4′aS)-
  • Secalonic acid A
  • [7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid, 2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-, dimethyl ester, [3R-[3α,4β,4aβ,7(3′R*,4′S*,4′aS*)]]-
  • [7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid, 2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-, dimethyl ester, (3R,3′R,4S,4′S,4aS,4′aS)-
  • Ergochrome AA(2,2′)

View All

Deleted or Replaced CAS Registry Numbers

32722-00-2, 52403-12-0

CAS INSIGHTSTM
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