ISOCOLUMBIN ,471-54-5 _Chemical Cloud Database

ISOCOLUMBIN

Basic Information
Product Name：	ISOCOLUMBIN
CAS：	471-54-5
English Synonyms：	(1S,2S,3S,5S,8S,11R,12S)-5-(3-FURYL)-12-HYDROXY-3,11-DIMETHYL-6,14-DIOXATETRACYCLO[10.2.2.0(2,11).0(3,8)]HEXADEC-15-ENE-7,13-DIONE ; ISOCOLUMBIN
MDL Number.：	MFCD02682936
H bond acceptor：	6
H bond donor：	1
Smile：	C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)c5ccoc5
InChi：	InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14+,15+,18-,19-,20-/m1/s1
InChiKey：	InChIKey=AALLCALQGXXWNA-UKFLMKJWSA-N
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