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Substance Name: Isovaltrate
RN: 31078-10-1
InChIKey: XLACUABANMZLCJ-KVJIRVJXSA-N

Molecular Formula

  • C22-H30-O8

Molecular Weight

  • 422.471
 
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Names and Synonyms

Results Name

  • Isovaltrate

Synonyms

  • EINECS 250-454-0
  • Isovaltrate
  • Isovaltratum

Systematic Name

  • (1S-(1alpha,6alpha,7beta,7aalpha))-6-Acetoxy-6,7a-dihydro-4-((isovaleryloxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl isovalerate

Registry Numbers

CAS Registry Number

  • 31078-10-1

System Generated Number

  • 0031078101

Structure Descriptors

InChI

1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

InChIKey

XLACUABANMZLCJ-KVJIRVJXSA-N

Smiles

C1=2[C@@H]([C@]3(OC3)[C@H](C2)OC(=O)C)[C@@H](OC=C1COC(=O)CC(C)C)OC(=O)CC(C)C