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菝葜配基乙酸酯
Smilagenin acetate
乙酰知母皂苷元, 25R,5BETA-SPIROSTAN-3BETA-OL 3-ACETATE, 3-O-acetylsarsasapogenin, Smilagenin Acetate
CAS号: 4947-75-5
IUPAC名称: [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate
分子式: C29H46O4
分子量: 458.67300
InChI: InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
InChIKey: LVRAKYNQYKVPIK-BSPYNPCNSA-N
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1
EINECS: -
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