| Properties | Image |
|---|
| MNX_ID | MNXM1192434 |
 |
| reference | envipathM:...186200e5557a |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | OLFKTIBBGUWTPT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-15-24-32-46-47(65-46)33-26-21-20-23-30-45(58)54(61)63-41-42(64-53(60)36-28-18-13-11-9-8-10-12-16-22-29-43(56)44(57)37-38-55)40-62-52(59)35-27-19-14-17-25-34-49-51(67-49)39-50-48(66-50)31-6-4-2/h15,22,24,29,42-51,55-58H,3-14,16-21,23,25-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-15-24-32-46-47(65-46)33-26-21-20-23-30-45(58)54(61)63-41-42(64-53(60)36-28-18-13-11-9-8-10-12-16-22-29-43(56)44(57)37-38-55)40-62-52(59)35-27-19-14-17-25-34-49-51(67-49)39-50-48(66-50)31-6-4-2/h15,22,24,29,42-51,55-58H,3-14,16-21,23,25-28,30-41H2,1-2H3/b24-15?,29-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:15]=[CH:24][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:26][CH2:21][CH2:20][CH2:23][CH2:30][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:52]([CH2:35][CH2:27][CH2:19][CH2:14][CH2:17][CH2:25][CH2:34][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:59])[O:64][C:53]([CH2:36][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:16][CH:22]=[CH:29][CH:43]([CH:44]([CH2:37][CH2:38][OH:55])[OH:57])[OH:56])=[O:60])[OH:58])[O:65]1 |
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