| Properties | Image |
|---|
| MNX_ID | MNXM1181175 |
 |
| reference | envipathM:...a80b5a485831 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | FRIJSOJBLVNTPU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-27-38-52(59)63-43(40-61-50(57)36-26-22-19-20-25-34-46-49(65-46)39-48-45(64-48)33-8-5-2)41-62-51(58)37-28-23-24-32-44(56)53(60)54-47(66-54)35-29-31-42(55)30-6-3/h10-11,13-14,42-43,45-49,53-55,60H,4-9,12,15-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCC(=O)C(O)C1OC1CCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-27-38-52(59)63-43(40-61-50(57)36-26-22-19-20-25-34-46-49(65-46)39-48-45(64-48)33-8-5-2)41-62-51(58)37-28-23-24-32-44(56)53(60)54-47(66-54)35-29-31-42(55)30-6-3/h10-11,13-14,42-43,45-49,53-55,60H,4-9,12,15-41H2,1-3H3/b11-10?,14-13?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:27][CH2:38][C:52](=[O:59])[O:63][CH:43]([CH2:40][O:61][C:50]([CH2:36][CH2:26][CH2:22][CH2:19][CH2:20][CH2:25][CH2:34][CH:46]1[CH:49]([CH2:39][CH:48]2[CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:57])[CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:23][CH2:24][CH2:32][C:44]([CH:53]([CH:54]1[CH:47]([CH2:35][CH2:29][CH2:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[O:66]1)[OH:60])=[O:56])=[O:58] |
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