| Properties | Image |
|---|
| MNX_ID | MNXM1197040 |
 |
| reference | envipathM:...fca1a2bd3934 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MFBQUWIFJNHFRM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-13-20-30-42(56)31-21-16-18-27-38-50(60)64-43(40-62-48(58)36-25-15-11-14-24-34-46-45(65-46)33-23-12-8-6-4-2)41-63-49(59)37-26-19-17-22-32-44(57)52-54(67-52)51(61)53-47(66-53)35-28-29-39-55/h9-10,12,23,42-47,51-57,61H,3-8,11,13-22,24-41H2,1-2H3 |
| SMILES | CCCCC=CCCCC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-13-20-30-42(56)31-21-16-18-27-38-50(60)64-43(40-62-48(58)36-25-15-11-14-24-34-46-45(65-46)33-23-12-8-6-4-2)41-63-49(59)37-26-19-17-22-32-44(57)52-54(67-52)51(61)53-47(66-53)35-28-29-39-55/h9-10,12,23,42-47,51-57,61H,3-8,11,13-22,24-41H2,1-2H3/b10-9?,23-12?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:13][CH2:20][CH2:30][CH:42]([CH2:31][CH2:21][CH2:16][CH2:18][CH2:27][CH2:38][C:50](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:48]([CH2:36][CH2:25][CH2:15][CH2:11][CH2:14][CH2:24][CH2:34][CH:46]1[CH:45]([CH2:33][CH:23]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58])[CH2:41][O:63][C:49]([CH2:37][CH2:26][CH2:19][CH2:17][CH2:22][CH2:32][CH:44]([CH:52]1[CH:54]([CH:51]([CH:53]2[CH:47]([CH2:35][CH2:28][CH2:29][CH2:39][OH:55])[O:66]2)[OH:61])[O:67]1)[OH:57])=[O:59])[OH:56] |
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