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人参皂苷Rb2 | 11021-13-9

人参皂苷Rb2
Ginsenoside Rb2
11021-13-9
C53H90O22
1079.2685
人参皂苷Rb2 数据

Mol:

11021-13-9.mol    by:chem960.com
ChemDraw08031019472D

…………

0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6583 9.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9324 14.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1121 12.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6054 13.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0883 9.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7851 11.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5863 17.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 7.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 10.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9132 19.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4066 19.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.2460 17.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.5729 18.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4124 16.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32 1 1 1 0 0 0
41 2 1 1 0 0 0
49 2 1 1 0 0 0
42 3 1 0 0 0 0
50 3 1 1 0 0 0
4 49 1 0 0 0 0
4 56 1 0 0 0 0
5 50 1 0 0 0 0
5 57 1 0 0 0 0
51 6 1 6 0 0 0
63 6 1 1 0 0 0
52 7 1 6 0 0 0
54 8 1 1 0 0 0
55 9 1 1 0 0 0
58 10 1 6 0 0 0
59 11 1 6 0 0 0
12 62 1 0 0 0 0
70 12 1 1 0 0 0
13 63 1 0 0 0 0
13 68 1 0 0 0 0
14 61 1 0 0 0 0
66 15 1 6 0 0 0
67 16 1 1 0 0 0
17 70 1 0 0 0 0
17 74 1 0 0 0 0
69 18 1 6 0 0 0
19 71 1 0 0 0 0
72 20 1 6 0 0 0
73 21 1 1 0 0 0
75 22 1 1 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 29 1 0 0 0 0
23 38 1 1 0 0 0
27 24 1 6 0 0 0
24 33 1 0 0 0 0
24 39 1 6 0 0 0
25 26 1 0 0 0 0
25 31 1 1 0 0 0
26 28 1 0 0 0 0
26 37 1 0 0 0 0
26 40 1 1 0 0 0
27 30 1 0 0 0 0
27 32 1 0 0 0 0
28 34 1 0 0 0 0
28 35 1 1 0 0 0
29 34 1 0 0 0 0
30 36 1 1 0 0 0
30 42 1 0 0 0 0
31 32 1 0 0 0 0
33 36 1 0 0 0 0
35 41 1 0 0 0 0
35 44 1 0 0 0 0
35 45 1 0 0 0 0
37 43 1 0 0 0 0
41 43 1 0 0 0 0
42 46 1 0 0 0 0
42 47 1 6 0 0 0
46 48 1 0 0 0 0
48 53 1 0 0 0 0
49 51 1 0 0 0 0
50 52 1 0 0 0 0
51 54 1 0 0 0 0
52 55 1 0 0 0 0
53 60 2 0 0 0 0
54 58 1 0 0 0 0
55 59 1 0 0 0 0
56 58 1 0 0 0 0
56 61 1 1 0 0 0
57 59 1 0 0 0 0
57 62 1 1 0 0 0
60 64 1 0 0 0 0
60 65 1 0 0 0 0
63 66 1 0 0 0 0
66 67 1 0 0 0 0
67 69 1 0 0 0 0
68 69 1 0 0 0 0
68 71 1 1 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 75 1 0 0 0 0
74 75 1 0 0 0 0
M END
人参皂苷Rb2 MDL: MFCD00221755

人参皂苷Rb2 InChIKey: NODILNFGTFIURN-GZPRDHCNSA-N

人参皂苷Rb2 Inchi: 1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1

人参皂苷Rb2 SMILES: O([H])[C@]1([H])C([H])([H])[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O4)O[H])O[H])O[H])O3)O[H])O[H])O[H])[C@]21[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]

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