Botrydiol

  • Identifiers

    CAS mumber
    67996-32-1

    Molecular formula
    C17H30O5

    SMILES
    C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1CO)([C@@](CC2(C)C)(C)CO)O)OC(=O)C

    Retention indicies (RI)

    • DB5: 1692.0

  • Properties

    XLogP3-AA
    2.0 Well soluble in DEP, MMB, TEC

    Molecular weight
    314.4 g/mol

  • Synonyms

    • Botrydiol
    • DTXSID80348417
    • 78433-22-4
    • Acetic acid 7a-hydroxy-1,7-bis-hydroxymethyl-1,3,3,6-tetramethyl-octahydro-inden-4-yl ester
    • (1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl rel-acetate
    • 1H-indene-1,7-dimethanol, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1R,3aR,4S,6R,7R,7aR)-
    • CHEMBL505182
    • DTXCID70299489
1 3

Botanical

Name CAS Botanical Proportion
Chenopodium botrys Chenopodium botrys L., fam. Chenopodiaceae 9.0%