| Properties | Image |
|---|
| MNX_ID | MNXM1190929 |
 |
| reference | envipathM:...3768a86c11d3 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | JWEICPHQVJVLAX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(60)64-43(41-62-50(58)37-30-25-21-23-28-35-47-49(65-47)40-46(57)44(55)33-9-6-3)42-63-51(59)38-32-26-27-34-45(56)53(61)54-48(66-54)36-29-22-11-8-5-2/h12-13,15-16,43-49,53-57,61H,4-11,14,17-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)COC(=O)CCCCCC(O)C(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(60)64-43(41-62-50(58)37-30-25-21-23-28-35-47-49(65-47)40-46(57)44(55)33-9-6-3)42-63-51(59)38-32-26-27-34-45(56)53(61)54-48(66-54)36-29-22-11-8-5-2/h12-13,15-16,43-49,53-57,61H,4-11,14,17-42H2,1-3H3/b13-12?,16-15?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:31][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:25][CH2:21][CH2:23][CH2:28][CH2:35][CH:47]1[CH:49]([CH2:40][CH:46]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])[OH:57])[O:65]1)=[O:58])[CH2:42][O:63][C:51]([CH2:38][CH2:32][CH2:26][CH2:27][CH2:34][CH:45]([CH:53]([CH:54]1[CH:48]([CH2:36][CH2:29][CH2:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:61])[OH:56])=[O:59] |
|