NCS
中国新化学物质查询
泽泻醇A(Alisol A)
泽泻醇 A, Alisol A, (8α,9β,11β,14β,20R,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one, Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,20R,23S,24R)-
CAS号: 19885-10-0
IUPAC名称: (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
分子式: C30H50O5
分子量: 490.715
InChI: InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey: HNOSJVWYGXOFRP-UNPOXIGHSA-N
SMILES: C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
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