CAS | 74284-42-7 |
Synonyms | Kaura-9(11),16-dien-18-oic acid, 12-oxo-, (4α)- |
IUPAC Name | (1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidene-12-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid |
Molecular Weight | 314.43 |
Molecular Formula | C20H26O3 |
Canonical SMILES | C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=CC(=O)[C@@H](C3)C(=C)C4)(C)C(=O)O |
InChI | InChI=1S/C20H26O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13,15H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,15-,18+,19+,20+/m0/s1 |
InChI Key | ZIWVZWGUPHJFMN-XXEDRWDRSA-N |
Purity | 98% |
Appearance | Solid |
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