柚皮苷结构式

中文名称:柚皮苷
英文名称:Naringin
CAS No.:10236-47-2
分子式:C27H32O14 分子量:580.5346
柚皮苷 数据
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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柚皮苷 Smile 编码:
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
柚皮苷 InChi 编码:
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
柚皮苷 InChiKey 编码:
DFPMSGMNTNDNHN-ZPHOTFPESA-N
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