| Properties | Image |
MNX_ID | MNXM190458 |
 |
reference | slm:000008024 |
formula | C62H110NO8P |
global charge | 0 |
mol weight | 1028.535 |
InChIKey | XNOPWWHWKMGKEP-JYHDBTMTSA-N |
InChI | InChI=1S/C62H110NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,27-28,30-31,60H,6-7,9,11-13,15,18,21,23,26,29,32-59H2,1-5H3/b10-8-,16-14-,19-17+,22-20-,25-24-,28-27-,31-30-/t60-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C62H110NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-62(65)71-60(59-70-72(66,67)69-57-56-63(3,4)5)58-68-61(64)54-52-50-48-46-44-42-40-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,27-28,30-31,60H,6-7,9,11-13,15,18,21,23,26,29,32-59H2,1-5H3/b10-8-,16-14-,19-17+,22-20-,25-24-,28-27-,31-30-/t60-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:62](=[O:65])[O:71][C@H:60]([CH2:58][O:68][C:61]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:21]/[CH:19]=[CH:17]/[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:64])[CH2:59][O:70][P:72](=[O:66])([O-:67])[O:69][CH2:57][CH2:56][N+:63]([CH3:3])([CH3:4])[CH3:5] |
|