| Properties | Image |
|---|
| MNX_ID | MNXM342474 |
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| reference | slm:000475652 |
| formula | C40H67O13P2 |
| global charge | -3 |
| mol weight | 817.911 |
| InChIKey | ZSMXAZPBONGFMX-WMZMEVHGSA-K |
| InChI | InChI=1S/C40H70O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-40(43)53-39(35-49-37(2)41)36-52-55(47,48)51-34-38(42)33-50-54(44,45)46/h4-5,7-8,10-11,13-14,16-17,38-39,42H,3,6,9,12,15,18-36H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b5-4-,8-7-,11-10-,14-13-,17-16-/t38-,39+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C40H70O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-40(43)53-39(35-49-37(2)41)36-52-55(47,48)51-34-38(42)33-50-54(44,45)46/h4-5,7-8,10-11,13-14,16-17,38-39,42H,3,6,9,12,15,18-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b5-4-,8-7-,11-10-,14-13-,17-16-/t38-,39+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:40](=[O:43])[O:53][C@H:39]([CH2:35][O:49][C:37]([CH3:2])=[O:41])[CH2:36][O:52][P:55]([OH:47])(=[O:48])[O:51][CH2:34][C@H:38]([CH2:33][O:50][P:54]([OH:44])([OH:45])=[O:46])[OH:42] |
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