rel-3-[(1E)-2-[(1R,2R)-1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-9H-xanthen-9-one

CAS Registry Number®

136364-57-3

CAS Name

rel-3-[(1E)-2-[(1R,2R)-1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-9H-xanthen-9-one

Molecular Formula

C36H28O10

Molecular Mass

620.60

Cite this Page

rel-3-[(1E)-2-[(1R,2R)-1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-9H-xanthen-9-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136364-57-3 (retrieved 2024-11-25) (CAS RN: 136364-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36+/m0/s1

InChIKey

InChIKey=XYRCPMXSIHHGSO-FIHMOKRGSA-N

SMILES

OC1=C2C(C(=O)C=3C(O2)=C(O)C=CC3)=C(O)C=C1[C@H]4[C@](/C=C/C=5C(O)=C6C(=C(O)C5)C(=O)C=7C(O6)=C(O)C=CC7)(C)CCC(C)=C4

Canonical SMILES

O=C1C=2C=CC=C(O)C2OC3=C(O)C(C=CC4(C)CCC(=CC4C5=CC(O)=C6C(=O)C=7C=CC=C(O)C7OC6=C5O)C)=CC(O)=C13

Other Names for this Substance

  • 9H-Xanthen-9-one, 3-[(1E)-2-[(1R,2R)-1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-, rel-
  • 9H-Xanthen-9-one, 3-[2-[1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-, [1α(E),2α]-
  • rel-3-[(1E)-2-[(1R,2R)-1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-9H-xanthen-9-one
  • Garcilivin A

CAS INSIGHTSTM
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