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Substance Name: Pilatin
RN: 119525-97-2
InChIKey: FGNPPWFDUWSHQL-PRGYMIKCSA-N

Note

  • From Flagelloscypha pilatii.

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H26-O7

Molecular Weight

  • 390.429
 
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Names and Synonyms

Name of Substance

  • Pilatin

Synonyms

  • CCRIS 1704
  • Pilatin

Systematic Names

  • 2-Hexenoic acid, 5a,7,8,8a-tetrahydro-3,5a-dihydroxy-7,7-dimethyl-4-formyl-1-oxo-3H,6H,3a,8b-methano-1H-indeno(4,5-c)furan-6-yl ester, (3S-(3-alpha,3a-beta,5a-beta,6-alpha(E),8a-beta,9b-beta))-
  • 2-Hexenoic acid, 5a,7,8,8a-tetrahydro-4-formyl-3,5a-dihydroxy-7,7-dimethyl-1-oxo-3H,6H-3a,8b-methano-1H-indeno(4,5-c)furan-6-yl ester, (3S-(3alpha,3abeta,5abeta,6alpha(E),8abeta,9bbeta))-
  • Pilatin

Registry Numbers

CAS Registry Number

  • 119525-97-2

System Generated Number

  • 0119525972

Structure Descriptors

InChI

1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19?,20?,21-/m1/s1

InChIKey

FGNPPWFDUWSHQL-PRGYMIKCSA-N

Smiles

C(\C=C\CCC)(=O)O[C@@H]1C(C[C@H]2[C@@]1(C=C([C@@]13[C@@]2(C(O[C@@H]1O)=O)C3)C=O)O)(C)C