| Properties | Image |
|---|
| MNX_ID | MNXM1189035 |
 |
| reference | envipathM:...d6df78740b79 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | LBHWBBJJRYKRNV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-16-26-35-48-49(65-48)36-27-18-15-20-28-37-51(59)62-41-44(64-53(61)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-52(60)38-29-22-21-25-34-46(57)54-50(66-54)40-47(58)45(56)33-9-6-3/h23-24,31-32,44-50,54,56-58H,4-22,25-30,33-42H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-16-26-35-48-49(65-48)36-27-18-15-20-28-37-51(59)62-41-44(64-53(61)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)42-63-52(60)38-29-22-21-25-34-46(57)54-50(66-54)40-47(58)45(56)33-9-6-3/h23-24,31-32,44-50,54,56-58H,4-22,25-30,33-42H2,1-3H3/b31-23?,32-24?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:16][CH2:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:27][CH2:18][CH2:15][CH2:20][CH2:28][CH2:37][C:51](=[O:59])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:22][CH2:21][CH2:25][CH2:34][CH:46]([CH:54]2[CH:50]([CH2:40][CH:47]([CH:45]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:56])[OH:58])[O:66]2)[OH:57])=[O:60])[O:64][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][C:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])=[O:61])[O:65]1 |
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