| Properties | Image |
|---|
| MNX_ID | MNXM1182183 |
 |
| reference | envipathM:...9943844e593a |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | AWCFAYIOPKAPBX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-23-33-46(58)54-49(67-54)35-25-15-12-18-27-37-52(61)64-42-44(65-53(62)38-28-16-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-63-51(60)36-26-17-11-14-24-34-48-50(66-48)40-47(59)45(57)32-6-4-2/h22-23,31,33,43-50,54-59H,3-21,24-30,32,34-42H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCCCC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-23-33-46(58)54-49(67-54)35-25-15-12-18-27-37-52(61)64-42-44(65-53(62)38-28-16-10-8-9-13-21-30-43(56)31-22-19-20-29-39-55)41-63-51(60)36-26-17-11-14-24-34-48-50(66-48)40-47(59)45(57)32-6-4-2/h22-23,31,33,43-50,54-59H,3-21,24-30,32,34-42H2,1-2H3/b31-22?,33-23?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:23]=[CH:33][CH:46]([CH:54]1[CH:49]([CH2:35][CH2:25][CH2:15][CH2:12][CH2:18][CH2:27][CH2:37][C:52](=[O:61])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:17][CH2:11][CH2:14][CH2:24][CH2:34][CH:48]2[CH:50]([CH2:40][CH:47]([CH:45]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[O:66]2)=[O:60])[O:65][C:53]([CH2:38][CH2:28][CH2:16][CH2:10][CH2:8][CH2:9][CH2:13][CH2:21][CH2:30][CH:43]([CH:31]=[CH:22][CH2:19][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:62])[O:67]1)[OH:58] |
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