| Properties | Image |
|---|
| MNX_ID | MNXM1194343 |
 |
| reference | envipathM:...e64996249ed9 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CGGXHWAPKCPURC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-30-37-52(60)65-43(40-63-51(59)36-29-23-20-21-26-32-44(56)53(61)46(58)38-42(55)31-8-5-2)41-64-54(62)45(57)33-27-24-25-28-35-48-50(67-48)39-49-47(66-49)34-9-6-3/h11-12,14-15,42-45,47-50,53,55-57,61H,4-10,13,16-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(=O)CC(O)CCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-30-37-52(60)65-43(40-63-51(59)36-29-23-20-21-26-32-44(56)53(61)46(58)38-42(55)31-8-5-2)41-64-54(62)45(57)33-27-24-25-28-35-48-50(67-48)39-49-47(66-49)34-9-6-3/h11-12,14-15,42-45,47-50,53,55-57,61H,4-10,13,16-41H2,1-3H3/b12-11?,15-14?/t42?,43?,44?,45?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:30][CH2:37][C:52](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:51]([CH2:36][CH2:29][CH2:23][CH2:20][CH2:21][CH2:26][CH2:32][CH:44]([CH:53]([C:46]([CH2:38][CH:42]([CH2:31][CH2:8][CH2:5][CH3:2])[OH:55])=[O:58])[OH:61])[OH:56])=[O:59])[CH2:41][O:64][C:54]([CH:45]([CH2:33][CH2:27][CH2:24][CH2:25][CH2:28][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:57])=[O:62] |
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