| Properties | Image |
|---|
| MNX_ID | MNXM1188997 |
 |
| reference | envipathM:...b39730605785 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VAKNQBMTXUUESX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-22-30-42(55)31-23-16-12-13-17-26-34-46(58)54(62)65-43(41-64-52(61)38-29-21-15-19-27-36-49-53(67-49)45(57)33-24-11-8-5-2)40-63-51(60)37-28-20-14-18-25-32-44(56)47(59)39-50-48(66-50)35-9-6-3/h22-24,30-31,33,42-50,53,55-59H,4-21,25-29,32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-22-30-42(55)31-23-16-12-13-17-26-34-46(58)54(62)65-43(41-64-52(61)38-29-21-15-19-27-36-49-53(67-49)45(57)33-24-11-8-5-2)40-63-51(60)37-28-20-14-18-25-32-44(56)47(59)39-50-48(66-50)35-9-6-3/h22-24,30-31,33,42-50,53,55-59H,4-21,25-29,32,34-41H2,1-3H3/b30-22?,31-23?,33-24?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:22]=[CH:30][CH:42]([CH:31]=[CH:23][CH2:16][CH2:12][CH2:13][CH2:17][CH2:26][CH2:34][CH:46]([C:54](=[O:62])[O:65][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:25][CH2:32][CH:44]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:59])[OH:56])=[O:60])[CH2:41][O:64][C:52]([CH2:38][CH2:29][CH2:21][CH2:15][CH2:19][CH2:27][CH2:36][CH:49]1[CH:53]([CH:45]([CH:33]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)=[O:61])[OH:58])[OH:55] |
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