| Properties | Image |
|---|
| MNX_ID | MNXM187494 |
 |
| reference | slm:000471247 |
| formula | C41H69O13P2 |
| global charge | -3 |
| mol weight | 831.938 |
| InChIKey | VEPUAXAQDMXWQY-LAOZPGLWSA-K |
| InChI | InChI=1S/C41H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-41(44)54-39(36-53-56(48,49)52-34-38(42)33-51-55(45,46)47)35-50-40(43)31-28-25-23-20-21-24-27-30-37(2)3/h5-6,8-9,11-12,14-15,17-18,37-39,42H,4,7,10,13,16,19-36H2,1-3H3,(H,48,49)(H2,45,46,47)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t38-,39+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/C41H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-41(44)54-39(36-53-56(48,49)52-34-38(42)33-51-55(45,46)47)35-50-40(43)31-28-25-23-20-21-24-27-30-37(2)3/h5-6,8-9,11-12,14-15,17-18,37-39,42H,4,7,10,13,16,19-36H2,1-3H3,(H,48,49)(H2,45,46,47)/b6-5-,9-8-,12-11-,15-14-,18-17-/t38-,39+/m0/s1 |
 |
| 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][CH2:22][CH2:26][CH2:29][CH2:32][C:41](=[O:44])[O:54][C@H:39]([CH2:35][O:50][C:40]([CH2:31][CH2:28][CH2:25][CH2:23][CH2:20][CH2:21][CH2:24][CH2:27][CH2:30][CH:37]([CH3:2])[CH3:3])=[O:43])[CH2:36][O:53][P:56]([OH:48])(=[O:49])[O:52][CH2:34][C@H:38]([CH2:33][O:51][P:55]([OH:45])([OH:46])=[O:47])[OH:42] |
|