| Properties | Image |
|---|
| MNX_ID | MNXM1138232 |
 |
| reference | envipathM:...ed3e4217cbb8 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | LMBOPQRZYXIZJK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-39-54(61)64-43(41-62-52(59)37-28-24-19-21-26-32-46(57)47(58)34-31-33-45(56)44(55)6-3)42-63-53(60)38-29-25-20-22-27-36-49-51(66-49)40-50-48(65-50)35-8-5-2/h10-11,31,33,43-51,55-58H,4-9,12-30,32,34-42H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)C(O)CC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-39-54(61)64-43(41-62-52(59)37-28-24-19-21-26-32-46(57)47(58)34-31-33-45(56)44(55)6-3)42-63-53(60)38-29-25-20-22-27-36-49-51(66-49)40-50-48(65-50)35-8-5-2/h10-11,31,33,43-51,55-58H,4-9,12-30,32,34-42H2,1-3H3/b11-10?,33-31?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:39][C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:32][CH:46]([CH:47]([CH2:34][CH:31]=[CH:33][CH:45]([CH:44]([CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])[OH:57])=[O:59])[CH2:42][O:63][C:53]([CH2:38][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:60] |
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