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Substance Name: Dactylorhin A
RN: 256459-34-4
InChIKey: QUCKZYFUROTIBC-HDQVGPIMSA-N

Note

  • From Orchidaceae.

Molecular Formula

  • C40-H56-O22

Molecular Weight

  • 888.8604
 
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Names and Synonyms

Results Name

  • Dactylorhin A

Synonym

  • Dactylorhin A

Systematic Name

  • beta-D-Glucopyranoside, ((2R)-2-(beta-D-glucopyranosyloxy)-2-(2-methylpropyl)-1,4-dioxo-1,4-butanediyl)bis(oxymethylene-4,1-phenylene)bis-

Registry Numbers

CAS Registry Number

  • 256459-34-4

System Generated Number

  • 0256459344

Structure Descriptors

InChI

1S/C40H56O22/c1-18(2)11-40(62-38-35(53)32(50)29(47)25(15-43)61-38,39(54)56-17-20-5-9-22(10-6-20)58-37-34(52)31(49)28(46)24(14-42)60-37)12-26(44)55-16-19-3-7-21(8-4-19)57-36-33(51)30(48)27(45)23(13-41)59-36/h3-10,18,23-25,27-38,41-43,45-53H,11-17H2,1-2H3/t23-,24-,25-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36-,37-,38+,40-/m1/s1

InChIKey

QUCKZYFUROTIBC-HDQVGPIMSA-N

Smiles

CC(C)C[C@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OCc4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4