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Substance Name: Specionin
RN: 87946-74-5
InChIKey: MQCIJEYGQHWJFX-VZNPGGIZSA-N

Molecular Formula

  • C20-H26-O8

Molecular Weight

  • 394.4174
 
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Names and Synonyms

Results Name

  • Specionin

Synonyms

  • (-)-Specionin
  • Specionin
  • Specionin, (-)-

Systematic Name

  • Benzoic acid, 4-hydroxy-, 2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-6-yl ester, (1aS-(1aalpha,1bbeta,2alpha,4beta,5abeta,6beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 87946-74-5

Other Registry Number

  • 97101-25-2

System Generated Number

  • 0087946745

Structure Descriptors

InChI

1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1

InChIKey

MQCIJEYGQHWJFX-VZNPGGIZSA-N

Smiles

CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)[C@@H]4O[C@]4(CO)[C@H]2[C@@H](OCC)O1