| Properties | Image |
|---|
| MNX_ID | MNXM1171233 |
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| reference | envipathM:...9888b08f25cd |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | GQOHQCASKMQKRW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-25-34-46(57)54-49(66-54)36-27-20-17-23-29-38-52(60)63-42-44(64-53(61)39-30-21-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-51(59)37-28-22-16-19-26-33-45(56)47(58)40-50-48(65-50)35-8-5-2/h24-25,32,34,43-50,54-58H,4-23,26-31,33,35-42H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-25-34-46(57)54-49(66-54)36-27-20-17-23-29-38-52(60)63-42-44(64-53(61)39-30-21-15-13-11-10-12-14-18-24-32-43(55)31-6-3)41-62-51(59)37-28-22-16-19-26-33-45(56)47(58)40-50-48(65-50)35-8-5-2/h24-25,32,34,43-50,54-58H,4-23,26-31,33,35-42H2,1-3H3/b32-24?,34-25?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:25]=[CH:34][CH:46]([CH:54]1[CH:49]([CH2:36][CH2:27][CH2:20][CH2:17][CH2:23][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH2:42][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:22][CH2:16][CH2:19][CH2:26][CH2:33][CH:45]([CH:47]([CH2:40][CH:50]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:65]2)[OH:58])[OH:56])=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:18][CH:24]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:61])[O:66]1)[OH:57] |
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