| Properties | Image |
|---|
| MNX_ID | MNXM1180836 |
 |
| reference | envipathM:...b3750a142ce0 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ROUQUYZYJMHREG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-22-32-45(58)53-48(67-53)34-24-16-14-18-25-35-50(61)64-40-43(66-52(63)37-27-17-13-11-9-8-10-12-15-21-29-42(56)30-28-38-55)41-65-51(62)36-26-20-19-23-33-46(59)54-49(68-54)39-47(60)44(57)31-6-4-2/h10,12,21-22,29,32,42-49,53-60H,3-9,11,13-20,23-28,30-31,33-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-22-32-45(58)53-48(67-53)34-24-16-14-18-25-35-50(61)64-40-43(66-52(63)37-27-17-13-11-9-8-10-12-15-21-29-42(56)30-28-38-55)41-65-51(62)36-26-20-19-23-33-46(59)54-49(68-54)39-47(60)44(57)31-6-4-2/h10,12,21-22,29,32,42-49,53-60H,3-9,11,13-20,23-28,30-31,33-41H2,1-2H3/b12-10?,29-21?,32-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:32][CH:45]([CH:53]1[CH:48]([CH2:34][CH2:24][CH2:16][CH2:14][CH2:18][CH2:25][CH2:35][C:50](=[O:61])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:51]([CH2:36][CH2:26][CH2:20][CH2:19][CH2:23][CH2:33][CH:46]([CH:54]2[CH:49]([CH2:39][CH:47]([CH:44]([CH2:31][CH2:6][CH2:4][CH3:2])[OH:57])[OH:60])[O:68]2)[OH:59])=[O:62])[O:66][C:52]([CH2:37][CH2:27][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:21]=[CH:29][CH:42]([CH2:30][CH2:28][CH2:38][OH:55])[OH:56])=[O:63])[O:67]1)[OH:58] |
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