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MADECASSIC ACID

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Name: MADECASSIC ACID
CAS: 18449-41-7 ;125265-67-0
Synonyms: BRAHMIC ACID ; 6BETA-HYDROXYASIATIC ACID ; 2ALPHA,3BETA,6BETA,23-TETRAHYDROXY-URS-12-EN-28-OIC ACID ; ASIATIC ACID ; MADECASSIC ACID
MDL.: MFCD00895441
H bond acceptor: 6
H bond donor: 5
Smile: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(C[C@H](C5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)C2[C@H]1C)C)C(=O)O
InChi: InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21?,22?,23?,24+,26-,27+,28-,29-,30+/m1/s1
InChiKey: InChIKey=PRAUVHZJPXOEIF-UQPQHHFRSA-N

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Comments: APPEARANCE: WHITE CRYSTALS

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