Mol:
37 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
3.3796 -9.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
15.0153 -1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
13.8244 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
14.9509 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
15 1 1 6
22 1 1 1
16 2 1 1
2 20 1 0
3 16 1 0
3 24 1 0
4 18 1 0
4 27 1 0
5 22 1 0
5 33 1 0
19 6 1 1
21 7 1 6
8 23 1 0
9 25 2 0
28 10 1 6
30 11 1 6
32 12 1 1
13 35 1 0
14 41 1 0
15 16 1 0
15 19 1 0
17 18 2 0
17 23 1 0
17 25 1 0
18 26 1 0
19 21 1 0
20 26 2 0
20 29 1 0
21 24 1 0
22 28 1 0
23 29 2 0
24 35 1 1
25 31 1 0
27 31 1 0
27 34 1 6
28 30 1 0
30 32 1 0
32 33 1 0
33 38 1 6
34 36 2 0
34 37 1 0
36 39 1 0
37 40 2 0
39 41 2 0
40 41 1 0
M END
> <StdInChI>
InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
> <StdInChIKey>
DFPMSGMNTNDNHN-ZPHOTFPESA-N
> <AuxInfo>
1/0/N:38,36,37,39,40,29,26,31,35,33,34,41,20,23,25,27,18,24,17,32,21,30,19,28,15,22,16,13,14,8,9,12,7,11,6,10,5,2,4,3,1/E:(2,3)(4,5)/it:im/rA:41cOOOOOOOOOOOOOOCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;;n1;p2s3s15;;s4d17;p6s15;s2;n7s19;p1s5;s8s17;s3s21;d9s17;s18d20;s4;n10s22;s20d23;n11s28;s25s27;p12s30;s5s32;N27;s13P24;d34;s34;N33;s36;d37;s14d39s40;/rC:5.6327,-4.8281,0;5.8902,-1.9151,0;3.3957,-1.9634,0;10.4286,-1.9312,0;4.5062,-7.4513,0;3.4118,-5.8741,0;1.1426,-4.5706,0;8.1755,-5.842,0;10.4125,-5.8581,0;7.9019,-6.7915,0;7.9019,-9.4147,0;5.6327,-10.7183,0;0,-2.6072,0;16.0935,0,0;4.5223,-3.9107,0;4.5223,-2.6072,0;9.286,-3.8946,0;9.286,-2.575,0;3.3957,-4.5706,0;7.0329,-2.575,0;2.2692,-3.9107,0;5.6327,-6.7915,0;8.1755,-4.5384,0;2.2692,-2.6072,0;10.4125,-4.5545,0;8.1755,-1.9312,0;11.5552,-2.5911,0;6.7593,-7.4513,0;7.0329,-3.8946,0;6.7593,-8.7549,0;11.5552,-3.8946,0;5.6327,-9.4147,0;4.5062,-8.7549,0;12.6978,-1.9473,0;1.1426,-1.9634,0;13.8083,-2.6072,0;12.6978,-.6437,0;3.3796,-9.4147,0;15.0153,-1.9634,0;13.8244,0,0;14.9509,-.6598,0;
> <Formula>
C27 H32 O14
> <Mw>
580.5346
> <SMILES>
O([C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OC1C=C(C2C(C[C@@H](C3C=CC(=CC=3)O)OC=2C=1)=O)O)O)O
> <CSID>
390868
$$$$
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