| Properties | Image |
|---|
| MNX_ID | MNXM1179704 |
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| reference | envipathM:...92cdb528e13f |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | GTCMWTNYVMVYFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(64)67-45(42-65-52(62)38-28-24-19-21-26-35-46(56)47(57)37-31-33-44(55)32-6-3)43-66-53(63)39-29-25-20-22-27-36-49(59)51(61)41-50(60)48(58)34-8-5-2/h10-11,13-14,31,33,44-49,51,55-59,61H,4-9,12,15-30,32,34-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCCC(O)C(O)CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-54(64)67-45(42-65-52(62)38-28-24-19-21-26-35-46(56)47(57)37-31-33-44(55)32-6-3)43-66-53(63)39-29-25-20-22-27-36-49(59)51(61)41-50(60)48(58)34-8-5-2/h10-11,13-14,31,33,44-49,51,55-59,61H,4-9,12,15-30,32,34-43H2,1-3H3/b11-10?,14-13?,33-31?/t44?,45?,46?,47?,48?,49?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:40][C:54](=[O:64])[O:67][CH:45]([CH2:42][O:65][C:52]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:35][CH:46]([CH:47]([CH2:37][CH:31]=[CH:33][CH:44]([CH2:32][CH2:6][CH3:3])[OH:55])[OH:57])[OH:56])=[O:62])[CH2:43][O:66][C:53]([CH2:39][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:36][CH:49]([CH:51]([CH2:41][C:50]([CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[OH:58])=[O:60])[OH:61])[OH:59])=[O:63] |
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