| Properties | Image |
|---|
| MNX_ID | MNXM338426 |
 |
| reference | slm:000280435 |
| formula | C69H122O6 |
| global charge | 0 |
| mol weight | 1047.729 |
| InChIKey | MRTLVZMSWFCYRT-PJCFIXDJSA-N |
| InChI | InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-39-41-43-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-40-38-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,38,40,44,47,53,56,66H,4-14,16,19,21-24,26,28-37,39,41-43,45-46,48-52,54-55,57-65H2,1-3H3/b18-15-,20-17-,27-25-,40-38-,47-44-,56-53-/t66-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H122O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-39-41-43-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-42-40-38-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,38,40,44,47,53,56,66H,4-14,16,19,21-24,26,28-37,39,41-43,45-46,48-52,54-55,57-65H2,1-3H3/b18-15-,20-17-,27-25-,40-38-,47-44-,56-53-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][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][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][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]\[CH2:42]/[CH:40]=[CH:38]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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