| Properties | Image |
|---|
| MNX_ID | MNXM1184269 |
 |
| reference | envipathM:...2eead7bf0936 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | ZGGUFEJHBBFMQR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-34-50-51(66-50)41-47(58)46(57)33-24-16-12-20-27-37-52(59)62-42-45(64-54(61)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)43-63-53(60)38-28-21-13-17-25-35-48-49(65-48)36-26-18-14-22-30-40-55/h18,23,26,32,44-51,55-58H,3-17,19-22,24-25,27-31,33-43H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-34-50-51(66-50)41-47(58)46(57)33-24-16-12-20-27-37-52(59)62-42-45(64-54(61)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)43-63-53(60)38-28-21-13-17-25-35-48-49(65-48)36-26-18-14-22-30-40-55/h18,23,26,32,44-51,55-58H,3-17,19-22,24-25,27-31,33-43H2,1-2H3/b26-18?,32-23?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:34][CH:50]1[CH:51]([CH2:41][CH:47]([CH:46]([CH2:33][CH2:24][CH2:16][CH2:12][CH2:20][CH2:27][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:45]([CH2:43][O:63][C:53]([CH2:38][CH2:28][CH2:21][CH2:13][CH2:17][CH2:25][CH2:35][CH:48]2[CH:49]([CH2:36][CH:26]=[CH:18][CH2:14][CH2:22][CH2:30][CH2:40][OH:55])[O:65]2)=[O:60])[O:64][C:54]([CH2:39][CH2:29][CH2:19][CH2:11][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:15][CH:23]=[CH:32][CH:44]([CH2:31][CH2:4][CH3:2])[OH:56])=[O:61])[OH:57])[OH:58])[O:66]1 |
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