| Properties | Image |
|---|
| MNX_ID | MNXM1180505 |
 |
| reference | envipathM:...abe855a1863f |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | FXLMCHCODQCUEG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-11-23-34-46-47(64-46)35-24-12-10-13-25-36-51(58)61-40-44(63-53(60)38-27-16-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)41-62-52(59)37-26-17-15-22-32-45(57)54-50(66-54)39-49-48(65-49)33-8-5-2/h11,23,42-50,54-57H,4-10,12-22,24-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)CCCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-11-23-34-46-47(64-46)35-24-12-10-13-25-36-51(58)61-40-44(63-53(60)38-27-16-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)41-62-52(59)37-26-17-15-22-32-45(57)54-50(66-54)39-49-48(65-49)33-8-5-2/h11,23,42-50,54-57H,4-10,12-22,24-41H2,1-3H3/b23-11?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:23][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:24][CH2:12][CH2:10][CH2:13][CH2:25][CH2:36][C:51](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:52]([CH2:37][CH2:26][CH2:17][CH2:15][CH2:22][CH2:32][CH:45]([CH:54]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)[OH:57])=[O:59])[O:63][C:53]([CH2:38][CH2:27][CH2:16][CH2:14][CH2:19][CH2:30][CH:43]([CH2:31][CH2:21][CH2:18][CH2:20][CH2:29][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[O:64]1 |
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