| Properties | Image |
MNX_ID | MNXM322069 |
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reference | slm:000012034 |
formula | C44H78NO8P |
global charge | 0 |
mol weight | 780.081 |
InChIKey | YNDCRCICPXCPJD-IFSLRMANSA-N |
InChI | InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10-11,13-14,16-17,19-21,42H,6-7,9,12,15,18,22-41H2,1-5H3/b10-8-,13-11-,16-14-,19-17-,21-20-/t42-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10-11,13-14,16-17,19-21,42H,6-7,9,12,15,18,22-41H2,1-5H3/b10-8-,13-11-,16-14-,19-17-,21-20-/t42-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:53][C@H:42]([CH2:40][O:50][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])=[O:46])[CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5] |
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