| Properties | Image |
|---|
| MNX_ID | MNXM102807 |
 |
| reference | chebi:65425 |
| formula | C70H116O36 |
| global charge | 0 |
| mol weight | 1533.662 |
| InChIKey | YRTDPWGTGFRWCS-NVSDYHLPSA-N |
| InChI | InChI=1S/C70H116O36/c1-64(2)14-15-69-25-94-70(35(69)16-64)13-9-34-66(5)11-10-37(65(3,4)33(66)8-12-67(34,6)68(70,7)17-36(69)77)101-62-55(105-60-50(90)46(86)41(81)29(20-73)97-60)43(83)32(24-93-62)100-63-56(106-57-47(87)38(78)26(76)23-92-57)53(42(82)30(21-74)98-63)103-61-51(91)54(104-59-49(89)45(85)40(80)28(19-72)96-59)52(31(22-75)99-61)102-58-48(88)44(84)39(79)27(18-71)95-58/h26-63,71-91H,8-25H2,1-7H3/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,66+,67-,68+,69-,70+/m1/s1 |
| SMILES | CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]9O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 |
MNX internals
| InChI (mnx) | InChI=1/C70H116O36/c1-64(2)14-15-69-25-94-70(35(69)16-64)13-9-34-66(5)11-10-37(65(3,4)33(66)8-12-67(34,6)68(70,7)17-36(69)77)101-62-55(105-60-50(90)46(86)41(81)29(20-73)97-60)43(83)32(24-93-62)100-63-56(106-57-47(87)38(78)26(76)23-92-57)53(42(82)30(21-74)98-63)103-61-51(91)54(104-59-49(89)45(85)40(80)28(19-72)96-59)52(31(22-75)99-61)102-58-48(88)44(84)39(79)27(18-71)95-58/h26-63,71-91H,8-25H2,1-7H3/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,66+,67-,68+,69-,70+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:64]1([CH3:2])[CH2:14][CH2:15][C@:69]23[CH2:25][O:94][C@@:70]4([CH2:13][CH2:9][C@@H:34]5[C@@:66]6([CH3:5])[CH2:11][CH2:10][C@H:37]([O:101][C@H:62]7[C@H:55]([O:105][C@H:60]8[C@H:50]([OH:90])[C@@H:46]([OH:86])[C@H:41]([OH:81])[C@@H:29]([CH2:20][OH:73])[O:97]8)[C@@H:43]([OH:83])[C@@H:32]([O:100][C@H:63]8[C@H:56]([O:106][C@H:57]9[C@H:47]([OH:87])[C@@H:38]([OH:78])[C@H:26]([OH:76])[CH2:23][O:92]9)[C@@H:53]([O:103][C@H:61]9[C@H:51]([OH:91])[C@@H:54]([O:104][C@H:59]%10[C@H:49]([OH:89])[C@@H:45]([OH:85])[C@H:40]([OH:80])[C@@H:28]([CH2:19][OH:72])[O:96]%10)[C@H:52]([O:102][C@H:58]%10[C@H:48]([OH:88])[C@@H:44]([OH:84])[C@H:39]([OH:79])[C@@H:27]([CH2:18][OH:71])[O:95]%10)[C@@H:31]([CH2:22][OH:75])[O:99]9)[C@H:42]([OH:82])[C@@H:30]([CH2:21][OH:74])[O:98]8)[CH2:24][O:93]7)[C:65]([CH3:3])([CH3:4])[C@@H:33]6[CH2:8][CH2:12][C@@:67]5([CH3:6])[C@:68]4([CH3:7])[CH2:17][C@H:36]2[OH:77])[C@@H:35]3[CH2:16]1 |
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