| Properties | Image |
|---|
| MNX_ID | MNXM102808 |
 |
| reference | chebi:65426 |
| formula | C64H106O31 |
| global charge | 0 |
| mol weight | 1371.521 |
| InChIKey | OCSVOVNGBJMZTD-JKDSUZQNSA-N |
| InChI | InChI=1S/C64H106O31/c1-58(2)14-15-63-24-85-64(33(63)16-58)13-9-32-60(5)11-10-35(59(3,4)31(60)8-12-61(32,6)62(64,7)17-34(63)70)91-56-50(94-54-46(81)43(78)38(73)27(19-66)87-54)41(76)30(23-84-56)90-57-51(95-52-44(79)36(71)25(69)22-83-52)49(40(75)29(21-68)89-57)93-55-47(82)48(39(74)28(20-67)88-55)92-53-45(80)42(77)37(72)26(18-65)86-53/h25-57,65-82H,8-24H2,1-7H3/t25-,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+,56+,57+,60+,61-,62+,63-,64+/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](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/C64H106O31/c1-58(2)14-15-63-24-85-64(33(63)16-58)13-9-32-60(5)11-10-35(59(3,4)31(60)8-12-61(32,6)62(64,7)17-34(63)70)91-56-50(94-54-46(81)43(78)38(73)27(19-66)87-54)41(76)30(23-84-56)90-57-51(95-52-44(79)36(71)25(69)22-83-52)49(40(75)29(21-68)89-57)93-55-47(82)48(39(74)28(20-67)88-55)92-53-45(80)42(77)37(72)26(18-65)86-53/h25-57,65-82H,8-24H2,1-7H3/t25-,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+,56+,57+,60+,61-,62+,63-,64+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:58]1([CH3:2])[CH2:14][CH2:15][C@:63]23[CH2:24][O:85][C@@:64]4([CH2:13][CH2:9][C@@H:32]5[C@@:60]6([CH3:5])[CH2:11][CH2:10][C@H:35]([O:91][C@H:56]7[C@H:50]([O:94][C@H:54]8[C@H:46]([OH:81])[C@@H:43]([OH:78])[C@H:38]([OH:73])[C@@H:27]([CH2:19][OH:66])[O:87]8)[C@@H:41]([OH:76])[C@@H:30]([O:90][C@H:57]8[C@H:51]([O:95][C@H:52]9[C@H:44]([OH:79])[C@@H:36]([OH:71])[C@H:25]([OH:69])[CH2:22][O:83]9)[C@@H:49]([O:93][C@H:55]9[C@H:47]([OH:82])[C@@H:48]([O:92][C@H:53]%10[C@H:45]([OH:80])[C@@H:42]([OH:77])[C@H:37]([OH:72])[C@@H:26]([CH2:18][OH:65])[O:86]%10)[C@H:39]([OH:74])[C@@H:28]([CH2:20][OH:67])[O:88]9)[C@H:40]([OH:75])[C@@H:29]([CH2:21][OH:68])[O:89]8)[CH2:23][O:84]7)[C:59]([CH3:3])([CH3:4])[C@@H:31]6[CH2:8][CH2:12][C@@:61]5([CH3:6])[C@:62]4([CH3:7])[CH2:17][C@H:34]2[OH:70])[C@@H:33]3[CH2:16]1 |
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