| Properties | Image |
|---|
| MNX_ID | MNXM1175919 |
 |
| reference | envipathM:...67f2e83d24f7 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | XWSGVHXZLPBKQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-53(62)66-44(41-64-51(60)37-27-22-19-20-25-33-45(56)48(59)40-50-49(67-50)36-8-5-2)42-65-52(61)38-28-24-23-26-34-46(57)54(63)47(58)35-30-32-43(55)31-6-3/h10-11,13-14,30,32,43-45,47-50,54-56,58-59,63H,4-9,12,15-29,31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(=O)C(O)C(O)CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-53(62)66-44(41-64-51(60)37-27-22-19-20-25-33-45(56)48(59)40-50-49(67-50)36-8-5-2)42-65-52(61)38-28-24-23-26-34-46(57)54(63)47(58)35-30-32-43(55)31-6-3/h10-11,13-14,30,32,43-45,47-50,54-56,58-59,63H,4-9,12,15-29,31,33-42H2,1-3H3/b11-10?,14-13?,32-30?/t43?,44?,45?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:29][CH2:39][C:53](=[O:62])[O:66][CH:44]([CH2:41][O:64][C:51]([CH2:37][CH2:27][CH2:22][CH2:19][CH2:20][CH2:25][CH2:33][CH:45]([CH:48]([CH2:40][CH:50]1[CH:49]([CH2:36][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:59])[OH:56])=[O:60])[CH2:42][O:65][C:52]([CH2:38][CH2:28][CH2:24][CH2:23][CH2:26][CH2:34][C:46]([CH:54]([CH:47]([CH2:35][CH:30]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])[OH:58])[OH:63])=[O:57])=[O:61] |
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