| Properties | Image |
|---|
| MNX_ID | MNXM1178323 |
 |
| reference | envipathM:...bb4a27d2ee1c |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | VGUYPUPHQYJSJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(59)63-44(43-62-54(60)47(57)36-30-27-26-29-35-46(56)45(55)34-28-22-11-8-5-2)42-61-52(58)39-32-25-21-23-31-38-49-51(65-49)41-50-48(64-50)37-9-6-3/h12-13,44,46-51,56-57H,4-11,14-43H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(59)63-44(43-62-54(60)47(57)36-30-27-26-29-35-46(56)45(55)34-28-22-11-8-5-2)42-61-52(58)39-32-25-21-23-31-38-49-51(65-49)41-50-48(64-50)37-9-6-3/h12-13,44,46-51,56-57H,4-11,14-43H2,1-3H3/b13-12?/t44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:33][CH2:40][C:53](=[O:59])[O:63][CH:44]([CH2:42][O:61][C:52]([CH2:39][CH2:32][CH2:25][CH2:21][CH2:23][CH2:31][CH2:38][CH:49]1[CH:51]([CH2:41][CH:50]2[CH:48]([CH2:37][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)=[O:58])[CH2:43][O:62][C:54]([CH:47]([CH2:36][CH2:30][CH2:27][CH2:26][CH2:29][CH2:35][CH:46]([C:45]([CH2:34][CH2:28][CH2:22][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])[OH:57])=[O:60] |
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