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Substance Name: Aechl-1
RN: 1198210-11-5
UNII: 50JLJ1Z4KG
InChIKey: JTJLRAHVRLDLGC-PXAVMNNWSA-N

Molecular Formula

  • C29-H36-O10

Molecular Weight

  • 544.5934
 
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Names and Synonyms

Name of Substance

  • Aechl-1

Synonyms

  • Aechl-1
  • Butanoic acid, 2-hydroxy-2-methyl-, (1R,2R,3aS,4R,11bR,11cs)-2,11-diethoxy-1,3,3a,4,5,11b-hexahydro-1,10-dihydroxy-7,8-dimethyl-3-methylene-5-oxo-2H-1,11C-(epoxymethano)phenanthro(10,1-bc)pyran-4-yl ester
  • UNII-50JLJ1Z4KG

Registry Numbers

CAS Registry Number

  • 1198210-11-5

FDA UNII

  • 50JLJ1Z4KG

System Generated Number

  • 1198210115

Structure Descriptors

InChI

1S/C29H36O10/c1-8-27(7,33)26(32)38-21-19-15(6)24(36-10-3)29(34)22-18-17(13(4)11-16(30)20(18)35-9-2)14(5)23(39-25(21)31)28(19,22)12-37-29/h11,19,21-22,24,30,33-34H,6,8-10,12H2,1-5,7H3/t19-,21-,22-,24-,27?,28+,29-/m1/s1

InChIKey

JTJLRAHVRLDLGC-PXAVMNNWSA-N

Smiles

CCC(C)(C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@]3([C@H]4[C@@]2(CO3)C(=C(c5c4c(c(cc5C)O)OCC)C)OC1=O)O)OCC)O