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Substance Name: 9-Hydroxyisovelleral
RN: 96910-71-3
InChIKey: XJHRNHWYRIVNAL-NGFQHRJXSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H20-O3

Molecular Weight

  • 248.32
 
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Names and Synonyms

Results Name

  • 9-Hydroxyisovelleral

Synonyms

  • 9-Hydroxyisovelleral
  • 9beta-Hydroxyisovelleral
  • CCRIS 1700

Systematic Names

  • 9-Hydroxyisovelleral
  • Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-

Registry Numbers

CAS Registry Number

  • 96910-71-3

Other Registry Number

  • 109957-55-3

System Generated Number

  • 0096910713

Structure Descriptors

InChI

1S/C15H20O3/c1-12(2)5-11-13(3)8-14(13,9-17)10(6-16)4-15(11,18)7-12/h4,6,9,11,18H,5,7-8H2,1-3H3/t11-,13-,14-,15+/m1/s1

InChIKey

XJHRNHWYRIVNAL-NGFQHRJXSA-N

Smiles

C=1([C@]2([C@@]([C@@H]3[C@@](CC(C3)(C)C)(O)C1)(C)C2)C=O)C=O