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Substance Name: Aciculatin
RN: 134044-97-6
InChIKey: RUTGHCUXABPJTJ-VAXHSPNUSA-N

Note

  • Isolated from the plant Chrysopogon aciculatis.

Molecular Formula

  • C22-H22-O8

Molecular Weight

  • 414.4078
 
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Names and Synonyms

Name of Substance

  • Aciculatin

Synonym

  • 8-(2,6-Dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one sesquihydrate

Systematic Name

  • 4H-1-Benzopyran-4-one, 8-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-

Registry Numbers

CAS Registry Number

  • 134044-97-6

System Generated Number

  • 0134044976

Structure Descriptors

InChI

1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15+,18+,21-/m1/s1

InChIKey

RUTGHCUXABPJTJ-VAXHSPNUSA-N

Smiles

COc1cc(O)c2C(=O)C=C(Oc2c1[C@@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)c4ccc(O)cc4