| Properties | Image |
|---|
| MNX_ID | MNXM259855 |
 |
| reference | slm:000277634 |
| formula | C69H116O6 |
| global charge | 0 |
| mol weight | 1041.681 |
| InChIKey | QWGPQQOTHFXMGH-SAMCTXQMSA-N |
| InChI | InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,44,47,53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,35,38,44,47,53,56,66H,4-7,10,13-16,19,22-25,28,31-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,38-35-,47-44-,56-53-/t66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:33][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:70])[CH2:65][O:74][C:68]([CH2:62][CH2:59]/[CH:56]=[CH:53]\[CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:71] |
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