| Properties | Image |
|---|
| MNX_ID | MNXM185842 |
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| reference | slm:000471208 |
| formula | C45H77O13P2 |
| global charge | -3 |
| mol weight | 888.046 |
| InChIKey | BCKOTGBZILFERQ-GCWBOKRTSA-K |
| InChI | InChI=1S/C45H80O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-45(48)58-43(40-57-60(52,53)56-38-42(46)37-55-59(49,50)51)39-54-44(47)35-32-29-27-24-25-28-31-34-41(2)3/h5-6,8-9,11-12,14-15,17-18,41-43,46H,4,7,10,13,16,19-40H2,1-3H3,(H,52,53)(H2,49,50,51)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,43+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C45H80O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-45(48)58-43(40-57-60(52,53)56-38-42(46)37-55-59(49,50)51)39-54-44(47)35-32-29-27-24-25-28-31-34-41(2)3/h5-6,8-9,11-12,14-15,17-18,41-43,46H,4,7,10,13,16,19-40H2,1-3H3,(H,52,53)(H2,49,50,51)/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,43+/m0/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][CH2:26][CH2:30][CH2:33][CH2:36][C:45](=[O:48])[O:58][C@H:43]([CH2:39][O:54][C:44]([CH2:35][CH2:32][CH2:29][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([CH3:2])[CH3:3])=[O:47])[CH2:40][O:57][P:60]([OH:52])(=[O:53])[O:56][CH2:38][C@H:42]([CH2:37][O:55][P:59]([OH:49])([OH:50])=[O:51])[OH:46] |
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