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(4R,5S,5′S,6S,6′S,10aS,10′aS)-5,5′-Bis(acetyloxy)-10a,10′a-bis[(acetyloxy)methyl]-5,5′,6,6′,7,7′,10a,10′a-octahydro-1,1′,8,8′-tetrahydroxy-6,6′-dimethyl[4,4′-bi-9H-xanthene]-9,9′-dione

CAS Registry Number®

359844-69-2

CAS Name

(4R,5S,5′S,6S,6′S,10aS,10′aS)-5,5′-Bis(acetyloxy)-10a,10′a-bis[(acetyloxy)methyl]-5,5′,6,6′,7,7′,10a,10′a-octahydro-1,1′,8,8′-tetrahydroxy-6,6′-dimethyl[4,4′-bi-9H-xanthene]-9,9′-dione

Molecular Formula

C38H38O16

Molecular Mass

750.70

Cite this Page

(4R,5S,5′S,6S,6′S,10aS,10′aS)-5,5′-Bis(acetyloxy)-10a,10′a-bis[(acetyloxy)methyl]-5,5′,6,6′,7,7′,10a,10′a-octahydro-1,1′,8,8′-tetrahydroxy-6,6′-dimethyl[4,4′-bi-9H-xanthene]-9,9′-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=359844-69-2 (retrieved 2024-11-13) (CAS RN: 359844-69-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-216 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3

InChIKey

InChIKey=OHHXJWHRQGZQJM-UHFFFAOYSA-N

SMILES

C(OC(C)=O)C12C(C(=O)C=3C(O1)=C(C=CC3O)C4=C5C(C(=O)C=6C(COC(C)=O)(O5)C(OC(C)=O)C(C)CC6O)=C(O)C=C4)=C(O)CC(C)C2OC(C)=O

Canonical SMILES

O=C1C2=C(O)C=CC(=C2OC3(C1=C(O)CC(C)C3OC(=O)C)COC(=O)C)C4=CC=C(O)C=5C(=O)C6=C(O)CC(C)C(OC(=O)C)C6(OC45)COC(=O)C

Other Names for this Substance

  • [4,4′-Bi-9H-xanthene]-9,9′-dione, 5,5′-bis(acetyloxy)-10a,10′a-bis[(acetyloxy)methyl]-5,5′,6,6′,7,7′,10a,10′a-octahydro-1,1′,8,8′-tetrahydroxy-6,6′-dimethyl-, (4R,5S,5′S,6S,6′S,10aS,10′aS)-
  • (4R,5S,5′S,6S,6′S,10aS,10′aS)-5,5′-Bis(acetyloxy)-10a,10′a-bis[(acetyloxy)methyl]-5,5′,6,6′,7,7′,10a,10′a-octahydro-1,1′,8,8′-tetrahydroxy-6,6′-dimethyl[4,4′-bi-9H-xanthene]-9,9′-dione
  • Phomoxanthone A
  • Pomopxanthone A

Deleted or Replaced CAS Registry Numbers

870458-52-9

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