| Properties | Image |
|---|
| MNX_ID | MNXM176143 |
 |
| reference | slm:000500670 |
| formula | C55H92O15 |
| global charge | 0 |
| mol weight | 993.326 |
| InChIKey | JAMDEWWWOJRKFY-ROFKXAHSSA-N |
| InChI | InChI=1S/C55H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(57)65-40-43(68-47(58)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-66-54-53(64)51(62)49(60)45(70-54)42-67-55-52(63)50(61)48(59)44(39-56)69-55/h5-8,11-14,17-20,43-45,48-56,59-64H,3-4,9-10,15-16,21-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t43-,44-,45-,48+,49+,50+,51+,52-,53-,54-,55+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO[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)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C55H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(57)65-40-43(68-47(58)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-66-54-53(64)51(62)49(60)45(70-54)42-67-55-52(63)50(61)48(59)44(39-56)69-55/h5-8,11-14,17-20,43-45,48-56,59-64H,3-4,9-10,15-16,21-42H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t43-,44-,45-,48+,49+,50+,51+,52-,53-,54-,55+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:46](=[O:57])[O:65][CH2:40][C@H:43]([CH2:41][O:66][C@H:54]1[C@H:53]([OH:64])[C@@H:51]([OH:62])[C@@H:49]([OH:60])[C@@H:45]([CH2:42][O:67][C@@H:55]2[C@H:52]([OH:63])[C@@H:50]([OH:61])[C@@H:48]([OH:59])[C@@H:44]([CH2:39][OH:56])[O:69]2)[O:70]1)[O:68][C:47]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:58] |
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