| Properties | Image |
|---|
| MNX_ID | MNXM1171798 |
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| reference | envipathM:...bdaf96056bf0 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | JBHGURJQGZCSDI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-17-22-30-43(55)54(60)44(56)31-28-29-38-53(59)63-42(40-61-51(57)36-26-20-14-18-24-34-46-45(64-46)33-23-16-11-8-5-2)41-62-52(58)37-27-21-15-19-25-35-48-50(66-48)39-49-47(65-49)32-9-6-3/h16,22-23,30,42,44-50,54,56,60H,4-15,17-21,24-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCC(O)C(O)C(=O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-17-22-30-43(55)54(60)44(56)31-28-29-38-53(59)63-42(40-61-51(57)36-26-20-14-18-24-34-46-45(64-46)33-23-16-11-8-5-2)41-62-52(58)37-27-21-15-19-25-35-48-50(66-48)39-49-47(65-49)32-9-6-3/h16,22-23,30,42,44-50,54,56,60H,4-15,17-21,24-29,31-41H2,1-3H3/b23-16?,30-22?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:17][CH:22]=[CH:30][C:43]([CH:54]([CH:44]([CH2:31][CH2:28][CH2:29][CH2:38][C:53](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:51]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:24][CH2:34][CH:46]1[CH:45]([CH2:33][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:57])[CH2:41][O:62][C:52]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:32][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:58])[OH:56])[OH:60])=[O:55] |
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