| Properties | Image |
|---|
| MNX_ID | MNXM213103 |
 |
| reference | slm:000015276 |
| formula | C60H106O13P |
| global charge | -1 |
| mol weight | 1066.469 |
| InChIKey | QRQUPHKUEAIHEP-RWOFHGHCSA-M |
| InChI | InChI=1S/C60H107O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-54(62)72-52(49-70-53(61)47-44-41-38-36-33-34-37-40-43-46-51(2)3)50-71-74(68,69)73-60-58(66)56(64)55(63)57(65)59(60)67/h5-6,8-9,11-12,14-15,17-18,51-52,55-60,63-67H,4,7,10,13,16,19-50H2,1-3H3,(H,68,69)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t52-,55-,56-,57+,58-,59-,60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C60H107O13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-54(62)72-52(49-70-53(61)47-44-41-38-36-33-34-37-40-43-46-51(2)3)50-71-74(68,69)73-60-58(66)56(64)55(63)57(65)59(60)67/h5-6,8-9,11-12,14-15,17-18,51-52,55-60,63-67H,4,7,10,13,16,19-50H2,1-3H3,(H,68,69)/b6-5-,9-8-,12-11-,15-14-,18-17-/t52-,55-,56-,57+,58-,59-,60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:62])[O:72][C@H:52]([CH2:49][O:70][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:33][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH:51]([CH3:2])[CH3:3])=[O:61])[CH2:50][O:71][P:74]([OH:68])(=[O:69])[O:73][C@@H:60]1[C@H:58]([OH:66])[C@H:56]([OH:64])[C@@H:55]([OH:63])[C@H:57]([OH:65])[C@H:59]1[OH:67] |
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