| Properties | Image |
|---|
| MNX_ID | MNXM1198262 |
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| reference | envipathM:...c8832ac1b7e5 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | ODWVLWNWBHQOHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-14-23-32-48-49(66-48)33-24-17-12-19-26-35-52(60)63-40-44(65-54(62)46(58)31-22-16-11-10-15-21-29-43(56)38-37-42(55)28-6-3)41-64-53(61)36-27-20-13-18-25-34-50-51(67-50)39-47(59)45(57)30-8-5-2/h21,29,37-38,42-51,55-59H,4-20,22-28,30-36,39-41H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-14-23-32-48-49(66-48)33-24-17-12-19-26-35-52(60)63-40-44(65-54(62)46(58)31-22-16-11-10-15-21-29-43(56)38-37-42(55)28-6-3)41-64-53(61)36-27-20-13-18-25-34-50-51(67-50)39-47(59)45(57)30-8-5-2/h21,29,37-38,42-51,55-59H,4-20,22-28,30-36,39-41H2,1-3H3/b29-21?,38-37?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:14][CH2:23][CH2:32][CH:48]1[CH:49]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:19][CH2:26][CH2:35][C:52](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:53]([CH2:36][CH2:27][CH2:20][CH2:13][CH2:18][CH2:25][CH2:34][CH:50]2[CH:51]([CH2:39][CH:47]([CH:45]([CH2:30][CH2:8][CH2:5][CH3:2])[OH:57])[OH:59])[O:67]2)=[O:61])[O:65][C:54]([CH:46]([CH2:31][CH2:22][CH2:16][CH2:11][CH2:10][CH2:15][CH:21]=[CH:29][CH:43]([CH:38]=[CH:37][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])=[O:62])[O:66]1 |
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