| Properties | Image |
|---|
| MNX_ID | MNXM1183194 |
 |
| reference | envipathM:...452781c67dc7 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | HWIVUGOYRVSECP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-15-26-35-46-47(64-46)36-28-21-20-25-32-44(56)53(59)62-41-43(63-54(60)45(57)33-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)40-61-52(58)38-29-19-14-18-27-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h23,31,42-51,55-57H,4-22,24-30,32-41H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-15-26-35-46-47(64-46)36-28-21-20-25-32-44(56)53(59)62-41-43(63-54(60)45(57)33-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)40-61-52(58)38-29-19-14-18-27-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h23,31,42-51,55-57H,4-22,24-30,32-41H2,1-3H3/b31-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:15][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:21][CH2:20][CH2:25][CH2:32][CH:44]([C:53](=[O:59])[O:62][CH2:41][CH:43]([CH2:40][O:61][C:52]([CH2:38][CH2:29][CH2:19][CH2:14][CH2:18][CH2:27][CH2:37][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)=[O:58])[O:63][C:54]([CH:45]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:12][CH2:16][CH:23]=[CH:31][CH:42]([CH2:30][CH2:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])=[O:60])[OH:56])[O:64]1 |
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