ATRACTYLOSIDE POTASSIUM

CAS No.
17754-44-8
CCD No.
CCD00102769
Formula
C30 H44 O16 S2 . 2 K
MolWeight
802.99

Basic Information

Product Name: ATRACTYLOSIDE POTASSIUM
CAS: 17754-44-8
English Synonyms: ATRACTYLOSIDE ; ATRACTYLOSIDE POTASSIUM SALT ; ATRACTYLOSIDE POTASSIUM
MDL Number.: MFCD00221736
H bond acceptor: 16
H bond donor: 3
Smile: CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
InChi: InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1
InChiKey: InChIKey=IUCNQFHEWLYECJ-FNAJZLPOSA-L

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