| Properties | Image |
|---|
| MNX_ID | MNXM1186922 |
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| reference | envipathM:...0cc9132ad761 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | YORWYDGFHWLGGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-18-27-36-46-47(65-46)37-28-21-17-24-30-39-50(58)63-42-44(64-51(59)40-31-22-15-13-11-10-12-14-19-25-33-43(55)32-6-3)41-62-49(57)38-29-23-16-20-26-34-45(56)52(60)53(61)54-48(66-54)35-8-5-2/h12,14,25,33,43-44,46-48,52-55,60-61H,4-11,13,15-24,26-32,34-42H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(=O)C(O)C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-18-27-36-46-47(65-46)37-28-21-17-24-30-39-50(58)63-42-44(64-51(59)40-31-22-15-13-11-10-12-14-19-25-33-43(55)32-6-3)41-62-49(57)38-29-23-16-20-26-34-45(56)52(60)53(61)54-48(66-54)35-8-5-2/h12,14,25,33,43-44,46-48,52-55,60-61H,4-11,13,15-24,26-32,34-42H2,1-3H3/b14-12?,33-25?/t43?,44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:18][CH2:27][CH2:36][CH:46]1[CH:47]([CH2:37][CH2:28][CH2:21][CH2:17][CH2:24][CH2:30][CH2:39][C:50](=[O:58])[O:63][CH2:42][CH:44]([CH2:41][O:62][C:49]([CH2:38][CH2:29][CH2:23][CH2:16][CH2:20][CH2:26][CH2:34][C:45]([CH:52]([CH:53]([CH:54]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:61])[OH:60])=[O:56])=[O:57])[O:64][C:51]([CH2:40][CH2:31][CH2:22][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:19][CH:25]=[CH:33][CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])=[O:59])[O:65]1 |
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