| Properties | Image |
|---|
| MNX_ID | MNXM319915 |
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| reference | slm:000025001 |
| formula | C45H71O8P |
| global charge | -2 |
| mol weight | 771.029 |
| InChIKey | JAFPJBOYWDOFPC-RPRKTVNSSA-L |
| InChI | InChI=1S/C45H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-26,30,32,43H,3-5,7,9-10,15-16,20,23,27-29,31,33-42H2,1-2H3,(H2,48,49,50)/p-2/b8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-,32-30-/t43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-26,30,32,43H,3-5,7,9-10,15-16,20,23,27-29,31,33-42H2,1-2H3,(H2,48,49,50)/b8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-,32-30-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:47])[O:53][C@H:43]([CH2:41][O:51][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:46])[CH2:42][O:52][P:54]([OH:48])([OH:49])=[O:50] |
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