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Substance Name: Didrovaltrate [INN]
RN: 18296-45-2
UNII: KEN63D125F
InChIKey: PHHROXLDZHUIGO-PNBTUHDLSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H32-O8

Molecular Weight

  • 424.487
 
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Names and Synonyms

Name of Substance

  • Didrovaltrate
  • Didrovaltrate [INN]

Synonyms

  • (7S)-6alpha-Acetoxy-1-alpha-isovaleryloxy-4-isovaleryloxymethyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta(c)pyran-7-spiro-2'-oxiran
  • 1,4a,5,7a-Tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2'-oxirane)-4-methanol 6-acetate 1,4-diisovalerate
  • BRN 6010565
  • CCRIS 2662
  • Didrovaltrat
  • Didrovaltrat [German]
  • Didrovaltrate
  • Didrovaltrato
  • Didrovaltrato [INN-Spanish]
  • Didrovaltratum
  • Didrovaltratum [INN-Latin]
  • Dihydroisovalepotriate
  • Dihydroisovaltrate
  • Dihydroisovaltratum
  • EINECS 242-175-8
  • Isovalepotriate, dihydro-
  • Isovaltrate, 4a,5-dihydro-
  • Isovaltrate, dihydro-
  • NSC 335756
  • UNII-KEN63D125F

Systematic Names

  • 1,4a,5,7a-Tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2'-oxirane)-4-methanol 6-acetate 1,4-diisovalerate
  • Butanoic acid, 3-methyl-, (1S,4aS,6S,2'R,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester
  • Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-
  • Didrovaltrate
  • Dihydrovaltrate
  • Isovaleric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro(benzofuran-2(3H),2'-oxirane)-3,4-diol, 6-acetate (8CI)

Registry Numbers

CAS Registry Number

  • 18296-45-2

FDA UNII

  • KEN63D125F

Other Registry Numbers

  • 16088-53-2
  • 31078-11-2

System Generated Number

  • 0018296452

Structure Descriptors

InChI

1S/C22H32O8/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/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1

InChIKey

PHHROXLDZHUIGO-PNBTUHDLSA-N

Smiles

C1[C@@]2(O1)[C@H](C[C@H]1[C@@H]2[C@H](OC(CC(C)C)=O)OC=C1COC(=O)CC(C)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 123mg/kg (123mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Planta Medica. Vol. 52, Pg. 179, 1986.