MARRUBIIN ,465-92-9 _Chemical Cloud Database

MARRUBIIN

Basic Information
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
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