| Properties | Image |
|---|
| MNX_ID | MNXM1179114 |
 |
| reference | envipathM:...7c1608cd7a1a |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PRJUZZCKKJSJQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-52(59)64-43(40-62-51(58)36-28-20-17-18-25-35-48-50(67-48)38-49-47(66-49)32-6-4-2)41-63-54(61)53(60)44(57)31-24-22-27-34-46-45(65-46)33-26-21-23-30-42(56)39-55/h8-9,21,26,42-50,53,55-57,60H,3-7,10-20,22-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-52(59)64-43(40-62-51(58)36-28-20-17-18-25-35-48-50(67-48)38-49-47(66-49)32-6-4-2)41-63-54(61)53(60)44(57)31-24-22-27-34-46-45(65-46)33-26-21-23-30-42(56)39-55/h8-9,21,26,42-50,53,55-57,60H,3-7,10-20,22-25,27-41H2,1-2H3/b9-8?,26-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:29][CH2:37][C:52](=[O:59])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:38][CH:49]2[CH:47]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:58])[CH2:41][O:63][C:54]([CH:53]([CH:44]([CH2:31][CH2:24][CH2:22][CH2:27][CH2:34][CH:46]1[CH:45]([CH2:33][CH:26]=[CH:21][CH2:23][CH2:30][CH:42]([CH2:39][OH:55])[OH:56])[O:65]1)[OH:57])[OH:60])=[O:61] |
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