| Properties | Image |
|---|
| MNX_ID | MNXM1195494 |
 |
| reference | envipathM:...d27db10ef967 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | NUIYSWWMKQNFQY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-17-25-33-45(56)46(57)34-26-19-16-21-29-38-52(59)62-41-44(64-53(60)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-63-54(61)47(58)35-27-22-23-28-37-49-51(66-49)40-50-48(65-50)36-8-5-2/h12,14,17,24-25,32,43-45,47-51,55-56,58H,4-11,13,15-16,18-23,26-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-17-25-33-45(56)46(57)34-26-19-16-21-29-38-52(59)62-41-44(64-53(60)39-30-20-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-63-54(61)47(58)35-27-22-23-28-37-49-51(66-49)40-50-48(65-50)36-8-5-2/h12,14,17,24-25,32,43-45,47-51,55-56,58H,4-11,13,15-16,18-23,26-31,33-42H2,1-3H3/b14-12?,25-17?,32-24?/t43?,44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:25][CH2:33][CH:45]([C:46]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:21][CH2:29][CH2:38][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:54]([CH:47]([CH2:35][CH2:27][CH2:22][CH2:23][CH2:28][CH2:37][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:36][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)[OH:58])=[O:61])[O:64][C:53]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])=[O:57])[OH:56] |
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