| Properties | Image |
|---|
| MNX_ID | MNXM1197001 |
 |
| reference | envipathM:...9073b1b06a12 |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | OXRRRSVAUHEGQI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-3-5-7-14-23-34-48-49(65-48)35-24-16-12-19-26-37-52(59)62-42-45(64-54(61)39-28-18-11-9-10-15-22-32-44(56)31-21-8-6-4-2)43-63-53(60)38-27-20-13-17-25-36-50-51(66-50)41-47(58)46(57)33-29-30-40-55/h22,32,44-51,55-58H,3-21,23-31,33-43H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO)OC(=O)CCCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-3-5-7-14-23-34-48-49(65-48)35-24-16-12-19-26-37-52(59)62-42-45(64-54(61)39-28-18-11-9-10-15-22-32-44(56)31-21-8-6-4-2)43-63-53(60)38-27-20-13-17-25-36-50-51(66-50)41-47(58)46(57)33-29-30-40-55/h22,32,44-51,55-58H,3-21,23-31,33-43H2,1-2H3/b32-22?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:14][CH2:23][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:45]([CH2:43][O:63][C:53]([CH2:38][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:36][CH:50]2[CH:51]([CH2:41][CH:47]([CH:46]([CH2:33][CH2:29][CH2:30][CH2:40][OH:55])[OH:57])[OH:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:39][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:22]=[CH:32][CH:44]([CH2:31][CH2:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:61])[O:65]1 |
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