| Properties | Image |
|---|
| MNX_ID | MNXM1179194 |
 |
| reference | envipathM:...a5664c8b630d |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VHTUMAGGUWXVGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-19-28-42(56)29-20-12-9-8-10-14-27-37-53(61)64-44(40-62-51(59)35-25-15-11-13-23-33-46-47(65-46)34-24-18-21-30-43(57)39-55)41-63-52(60)36-26-17-16-22-31-45(58)54-50(67-54)38-49-48(66-49)32-6-4-2/h18,20,24,29,42-50,54-58H,3-17,19,21-23,25-28,30-41H2,1-2H3 |
| SMILES | CCCCCCC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-19-28-42(56)29-20-12-9-8-10-14-27-37-53(61)64-44(40-62-51(59)35-25-15-11-13-23-33-46-47(65-46)34-24-18-21-30-43(57)39-55)41-63-52(60)36-26-17-16-22-31-45(58)54-50(67-54)38-49-48(66-49)32-6-4-2/h18,20,24,29,42-50,54-58H,3-17,19,21-23,25-28,30-41H2,1-2H3/b24-18?,29-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:28][CH:42]([CH:29]=[CH:20][CH2:12][CH2:9][CH2:8][CH2:10][CH2:14][CH2:27][CH2:37][C:53](=[O:61])[O:64][CH:44]([CH2:40][O:62][C:51]([CH2:35][CH2:25][CH2:15][CH2:11][CH2:13][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH:24]=[CH:18][CH2:21][CH2:30][CH:43]([CH2:39][OH:55])[OH:57])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:36][CH2:26][CH2:17][CH2:16][CH2:22][CH2:31][CH:45]([CH:54]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:60])[OH:56] |
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