| Properties | Image |
|---|
| MNX_ID | MNXM1196678 |
 |
| reference | envipathM:...5fb844b9d074 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | BXYFOGMXLRUMIY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-8-17-25-34-47-48(65-47)35-26-19-15-22-28-37-51(58)62-41-44(64-53(60)39-30-21-14-12-10-9-11-13-18-24-33-43(55)31-5-2)42-63-52(59)38-29-23-16-20-27-36-49-50(66-49)40-46(57)54(61)45(56)32-6-3/h11,13,17,24-25,33,44-50,56-57H,4-10,12,14-16,18-23,26-32,34-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-8-17-25-34-47-48(65-47)35-26-19-15-22-28-37-51(58)62-41-44(64-53(60)39-30-21-14-12-10-9-11-13-18-24-33-43(55)31-5-2)42-63-52(59)38-29-23-16-20-27-36-49-50(66-49)40-46(57)54(61)45(56)32-6-3/h11,13,17,24-25,33,44-50,56-57H,4-10,12,14-16,18-23,26-32,34-42H2,1-3H3/b13-11?,25-17?,33-24?/t44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:17]=[CH:25][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:37][C:51](=[O:58])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:23][CH2:16][CH2:20][CH2:27][CH2:36][CH:49]2[CH:50]([CH2:40][CH:46]([C:54]([CH:45]([CH2:32][CH2:6][CH3:3])[OH:56])=[O:61])[OH:57])[O:66]2)=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:18][CH:24]=[CH:33][C:43]([CH2:31][CH2:5][CH3:2])=[O:55])=[O:60])[O:65]1 |
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