| Properties | Image |
|---|
| MNX_ID | MNXM1194072 |
 |
| reference | envipathM:...02381f6e312a |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | NMYPZCKCPYWZFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-21-22-30-39-50(59)63-43(40-61-48(57)37-28-19-14-17-26-35-45-52(64-45)44(56)33-25-11-8-5-2)41-62-49(58)38-29-20-15-18-27-36-47-54(66-47)51(60)53-46(65-53)34-9-6-3/h12-13,23,31,43-47,51-54,56,60H,4-11,14-22,24-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)CCCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-21-22-30-39-50(59)63-43(40-61-48(57)37-28-19-14-17-26-35-45-52(64-45)44(56)33-25-11-8-5-2)41-62-49(58)38-29-20-15-18-27-36-47-54(66-47)51(60)53-46(65-53)34-9-6-3/h12-13,23,31,43-47,51-54,56,60H,4-11,14-22,24-30,32-41H2,1-3H3/b13-12?,31-23?/t43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][C:42]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:30][CH2:39][C:50](=[O:59])[O:63][CH:43]([CH2:40][O:61][C:48]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:17][CH2:26][CH2:35][CH:45]1[CH:52]([CH:44]([CH2:33][CH2:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:64]1)=[O:57])[CH2:41][O:62][C:49]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:18][CH2:27][CH2:36][CH:47]1[CH:54]([CH:51]([CH:53]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:60])[O:66]1)=[O:58])=[O:55] |
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