| Properties | Image |
|---|
| MNX_ID | MNXM1411955 |
 |
| reference | chebi:232054 |
| formula | C60H102O29 |
| global charge | 0 |
| mol weight | 1287.447 |
| InChIKey | UCQFZURKTALAAG-AKPPXLIXSA-N |
| InChI | InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)87-55-50(89-53-48(78)43(73)38(68)29(20-63)83-53)45(75)40(70)31(85-55)22-80-51-46(76)41(71)36(66)27(18-61)81-51)24-15-16-58(6)32-12-10-25-26(60(32,8)33(65)17-59(24,58)7)11-14-34(56(25,2)3)86-54-49(44(74)39(69)30(21-64)84-54)88-52-47(77)42(72)37(67)28(19-62)82-52/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,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+,58+,59-,60+/m1/s1 |
| SMILES | C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C60H102O29/c1-23(9-13-35(57(4,5)79)87-55-50(89-53-48(78)43(73)38(68)29(20-63)83-53)45(75)40(70)31(85-55)22-80-51-46(76)41(71)36(66)27(18-61)81-51)24-15-16-58(6)32-12-10-25-26(60(32,8)33(65)17-59(24,58)7)11-14-34(56(25,2)3)86-54-49(44(74)39(69)30(21-64)84-54)88-52-47(77)42(72)37(67)28(19-62)82-52/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,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+,58+,59-,60+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:32]1[C@:28]2([CH3:40])[C@@H:27]([C@:25]3([CH3:36])[C@@:26]([CH3:37])([C@H:29]([C@H:38]([CH2:46][CH2:50][C@H:51]([CH2:3][CH:60]4[CH2:8][O@:64]([O:66][CH2:14][O@:72]5[CH2:18][O@:76]([O:78][CH3:24])[O@:77]([CH3:23])[O@:75]([CH3:22])[O@@:73]5[CH3:20])[O@:65]([CH3:13])[O@@:63]([CH3:12])[O@:61]4[CH2:10][O@:67]4[CH2:15][O@:70]([O:74][CH3:21])[O@@:71]([CH3:19])[O@:69]([CH3:17])[O:68]4[CH3:16])[C:53]([CH3:5])([CH3:56])[CH3:57])[CH3:47])[CH2:34][CH2:31]3)[CH2:30]1)[CH2:35][CH:42]=[C:39]1[C@@H:33]2[CH2:41][CH2:44][C@@H:45]([CH2:2][C@@H:52]2[CH2:4][CH:58]([O:62][CH3:11])[C@H:59]([CH3:9])[C@@H:55]([CH3:7])[C@H:54]2[CH2:6][O@:84]2[O:79][O@@:87]([O:89][OH:83])[O@@:88]([OH:82])[O@:86]([OH:81])[O@@:85]2[OH:80])[C:43]1([CH3:48])[CH3:49] |
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