| Properties | Image |
|---|
| MNX_ID | MNXM1185441 |
 |
| reference | envipathM:...764669159796 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | IWTXXMBWZKHWTE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-17-24-32-45(57)46(58)34-26-22-30-39-51(61)65-42(40-63-49(59)37-28-20-14-18-25-33-44(56)43(55)31-23-16-11-8-5-2)41-64-50(60)38-29-21-15-19-27-36-48-54(67-48)52(62)53-47(66-53)35-9-6-3/h12-13,16,23-24,32,42-48,52-58,62H,4-11,14-15,17-22,25-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-17-24-32-45(57)46(58)34-26-22-30-39-51(61)65-42(40-63-49(59)37-28-20-14-18-25-33-44(56)43(55)31-23-16-11-8-5-2)41-64-50(60)38-29-21-15-19-27-36-48-54(67-48)52(62)53-47(66-53)35-9-6-3/h12-13,16,23-24,32,42-48,52-58,62H,4-11,14-15,17-22,25-31,33-41H2,1-3H3/b13-12?,23-16?,32-24?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:24]=[CH:32][CH:45]([CH:46]([CH2:34][CH2:26][CH2:22][CH2:30][CH2:39][C:51](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:49]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:25][CH2:33][CH:44]([CH:43]([CH2:31][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])[CH2:41][O:64][C:50]([CH2:38][CH2:29][CH2:21][CH2:15][CH2:19][CH2:27][CH2:36][CH:48]1[CH:54]([CH:52]([CH:53]2[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:62])[O:67]1)=[O:60])[OH:58])[OH:57] |
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