Basic Information |
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Product Name: | MARRUBIIN |
CAS: | 465-92-9 |
English Synonyms: | MARRUBIIN |
MDL Number.: | MFCD08461003 |
H bond acceptor: | 4 |
H bond donor: | 1 |
Smile: | C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCc4ccoc4)O)C)(C(=O)O2)C |
InChi: | InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 |
InChiKey: | InChIKey=HQLLRHCTVDVUJB-OBHOOXMTSA-N |
Property |
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Safety information |
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