BETULIN CAFFEATE ,89130-86-9 _Chemical Cloud Database

BETULIN CAFFEATE

Basic Information
Product Name：	BETULIN CAFFEATE
CAS：	89130-86-9
English Synonyms：	BETULIN CAFFEATE
MDL Number.：	MFCD17214892
H bond acceptor：	5
H bond donor：	3
Smile：	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/c6ccc(c(c6)O)O)C)CO
InChi：	InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1
InChiKey：	InChIKey=VOQSZICWRNPAMF-IUGYEWCASA-N

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