| Properties | Image |
|---|
| MNX_ID | MNXM191340 |
 |
| reference | slm:000021059 |
| formula | C47H77O8P |
| global charge | -2 |
| mol weight | 801.099 |
| InChIKey | JWTPXQXOJGRGGR-BNTIZJTHSA-L |
| InChI | InChI=1S/C47H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(49)55-45(44-54-56(50,51)52)43-53-46(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24-25,28,30,45H,3-4,6,8-10,12,15,18,20,23,26-27,29,31-44H2,1-2H3,(H2,50,51,52)/p-2/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,30-28-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C47H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(49)55-45(44-54-56(50,51)52)43-53-46(48)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24-25,28,30,45H,3-4,6,8-10,12,15,18,20,23,26-27,29,31-44H2,1-2H3,(H2,50,51,52)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,30-28-/t45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:49])[O:55][C@H:45]([CH2:43][O:53][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:44][O:54][P:56]([OH:50])([OH:51])=[O:52] |
|