| Properties | Image |
|---|
| MNX_ID | MNXM1196252 |
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| reference | envipathM:...726ed58a99a2 |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | PPVOJUZTXPKHFB-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-20-15-22-29-37-51(57)62-40-42(64-54(61)44(56)32-25-19-14-12-10-8-9-11-13-18-24-31-43(55)53(59)60)41-63-52(58)38-30-23-16-21-28-36-48-50(67-48)39-49-47(66-49)33-6-4-2/h8-9,13,17-18,26,42-50,55-56H,3-7,10-12,14-16,19-25,27-41H2,1-2H3,(H,59,60)/p-1 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCC(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-20-15-22-29-37-51(57)62-40-42(64-54(61)44(56)32-25-19-14-12-10-8-9-11-13-18-24-31-43(55)53(59)60)41-63-52(58)38-30-23-16-21-28-36-48-50(67-48)39-49-47(66-49)33-6-4-2/h8-9,13,17-18,26,42-50,55-56H,3-7,10-12,14-16,19-25,27-41H2,1-2H3,(H,59,60)/b9-8?,18-13?,26-17?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:27][CH2:20][CH2:15][CH2:22][CH2:29][CH2:37][C:51](=[O:57])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:52]([CH2:38][CH2:30][CH2:23][CH2:16][CH2:21][CH2:28][CH2:36][CH:48]2[CH:50]([CH2:39][CH:49]3[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:58])[O:64][C:54]([CH:44]([CH2:32][CH2:25][CH2:19][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:18][CH2:24][CH2:31][CH:43]([C:53](=[O:59])[OH:60])[OH:55])[OH:56])=[O:61])[O:65]1 |
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