基本信息 |
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产品名称: | ALPHA AND BETA-AMYRINE BENZOATE |
CAS: | 3607-93-0 ;4660-99-5 |
英文同义词: | ALPHA AND BETA-AMYRINE BENZOATE |
MDL号: | MFCD11114505 |
氢键受体数量: | 2 |
氢键供体数量: | 0 |
Smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)c6ccccc6)C)C)[C@@H]2[C@H]1C)C)C.CC1(CC[C@@]2(CC[C@@]3([C@@H]([C@@H]2C1)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)c6ccccc6)C)C)C)C)C |
InChi: | InChI=1S/C37H54O2.C37H56O2/c1-24-16-19-34(5)22-23-36(7)27(31(34)25(24)2)14-15-29-35(6)20-18-30(39-32(38)26-12-10-9-11-13-26)33(3,4)28(35)17-21-37(29,36)8;1-32(2)20-21-34(5)22-23-36(7)26(27(34)24-32)14-15-29-35(6)18-17-30(39-31(38)25-12-10-9-11-13-25)33(3,4)28(35)16-19-37(29,36)8/h9-14,24-25,28-31H,15-23H2,1-8H3;9-13,26-30H,14-24H2,1-8H3/t24-,25+,28+,29-,30+,31+,34-,35+,36-,37-;26-,27+,28+,29-,30+,34-,35+,36-,37-/m11/s1 |
InChiKey: | InChIKey=WRICGUQFQSEONR-LHSAAOLISA-N |
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