| Properties | Image |
|---|
| MNX_ID | MNXM1177022 |
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| reference | envipathM:...95b197e1c722 |
| formula | C54H91O12 |
| global charge | -1 |
| mol weight | 932.31 |
| InChIKey | DDJUWMPEDNEIJT-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-31-39-53(60)63-43(41-61-51(58)37-29-20-17-18-26-34-45-46(64-45)35-27-22-23-28-36-50(56)57)42-62-52(59)38-30-24-21-25-32-44(55)54-49(66-54)40-48-47(65-48)33-6-4-2/h8-9,22,27,43-49,54-55H,3-7,10-21,23-26,28-42H2,1-2H3,(H,56,57)/p-1 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC(=O)[O-])COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-31-39-53(60)63-43(41-61-51(58)37-29-20-17-18-26-34-45-46(64-45)35-27-22-23-28-36-50(56)57)42-62-52(59)38-30-24-21-25-32-44(55)54-49(66-54)40-48-47(65-48)33-6-4-2/h8-9,22,27,43-49,54-55H,3-7,10-21,23-26,28-42H2,1-2H3,(H,56,57)/b9-8?,27-22?/t43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:31][CH2:39][C:53](=[O:60])[O:63][CH:43]([CH2:41][O:61][C:51]([CH2:37][CH2:29][CH2:20][CH2:17][CH2:18][CH2:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH:27]=[CH:22][CH2:23][CH2:28][CH2:36][C:50](=[O:56])[OH:57])[O:64]1)=[O:58])[CH2:42][O:62][C:52]([CH2:38][CH2:30][CH2:24][CH2:21][CH2:25][CH2:32][CH:44]([CH:54]1[CH:49]([CH2:40][CH:48]2[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)[OH:55])=[O:59] |
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