| Properties | Image |
|---|
| MNX_ID | MNXM1186545 |
 |
| reference | envipathM:...33b7ec8845cd |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | INHHJVBBRXRBRJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-39-53(62)66-44(42-64-51(60)37-29-23-16-19-26-34-45(56)46(57)35-27-20-18-25-32-40-55)43-65-52(61)38-30-24-17-21-28-36-49-50(67-49)41-48(59)54(63)47(58)33-4-2/h7-8,10-11,20,27,44,46-50,54-55,57-59,63H,3-6,9,12-19,21-26,28-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-39-53(62)66-44(42-64-51(60)37-29-23-16-19-26-34-45(56)46(57)35-27-20-18-25-32-40-55)43-65-52(61)38-30-24-17-21-28-36-49-50(67-49)41-48(59)54(63)47(58)33-4-2/h7-8,10-11,20,27,44,46-50,54-55,57-59,63H,3-6,9,12-19,21-26,28-43H2,1-2H3/b8-7?,11-10?,27-20?/t44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:22][CH2:31][CH2:39][C:53](=[O:62])[O:66][CH:44]([CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:23][CH2:16][CH2:19][CH2:26][CH2:34][C:45]([CH:46]([CH2:35][CH:27]=[CH:20][CH2:18][CH2:25][CH2:32][CH2:40][OH:55])[OH:57])=[O:56])=[O:60])[CH2:43][O:65][C:52]([CH2:38][CH2:30][CH2:24][CH2:17][CH2:21][CH2:28][CH2:36][CH:49]1[CH:50]([CH2:41][CH:48]([CH:54]([CH:47]([CH2:33][CH2:4][CH3:2])[OH:58])[OH:63])[OH:59])[O:67]1)=[O:61] |
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