| Properties | Image |
|---|
| MNX_ID | MNXM1183773 |
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| reference | envipathM:...ee1c861c62f1 |
| formula | C54H98O11 |
| global charge | 0 |
| mol weight | 923.367 |
| InChIKey | QGTGJVJFDFJOCC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O11/c1-4-7-9-18-26-34-46(56)47(57)35-27-20-16-23-29-38-52(58)61-42-45(63-54(60)40-31-22-15-13-11-10-12-14-19-25-33-44(55)32-6-3)43-62-53(59)39-30-24-17-21-28-37-49-51(65-49)41-50-48(64-50)36-8-5-2/h25,33,44-51,55-57H,4-24,26-32,34-43H2,1-3H3 |
| SMILES | CCCCCCCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O11/c1-4-7-9-18-26-34-46(56)47(57)35-27-20-16-23-29-38-52(58)61-42-45(63-54(60)40-31-22-15-13-11-10-12-14-19-25-33-44(55)32-6-3)43-62-53(59)39-30-24-17-21-28-37-49-51(65-49)41-50-48(64-50)36-8-5-2/h25,33,44-51,55-57H,4-24,26-32,34-43H2,1-3H3/b33-25?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:18][CH2:26][CH2:34][CH:46]([CH:47]([CH2:35][CH2:27][CH2:20][CH2:16][CH2:23][CH2:29][CH2:38][C:52](=[O:58])[O:61][CH2:42][CH:45]([CH2:43][O:62][C:53]([CH2:39][CH2:30][CH2:24][CH2:17][CH2:21][CH2:28][CH2:37][CH:49]1[CH:51]([CH2:41][CH:50]2[CH:48]([CH2:36][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:59])[O:63][C:54]([CH2:40][CH2:31][CH2:22][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:19][CH:25]=[CH:33][CH:44]([CH2:32][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])[OH:56] |
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