| Properties | Image |
|---|
| MNX_ID | MNXM1295204 |
 |
| reference | envipathM:...d5598d30f756 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ALHABISHALFGRC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-17-25-33-44(56)45(57)34-26-19-16-21-29-38-49(59)63-40-43(65-50(60)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-64-54(62)46(58)35-27-22-23-28-37-48-53(67-48)51(61)52-47(66-52)36-8-5-2/h12,14,17,24-25,32,42-43,45-48,51-53,55,57-58,61H,4-11,13,15-16,18-23,26-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC(=O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-17-25-33-44(56)45(57)34-26-19-16-21-29-38-49(59)63-40-43(65-50(60)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-64-54(62)46(58)35-27-22-23-28-37-48-53(67-48)51(61)52-47(66-52)36-8-5-2/h12,14,17,24-25,32,42-43,45-48,51-53,55,57-58,61H,4-11,13,15-16,18-23,26-31,33-41H2,1-3H3/b14-12?,25-17?,32-24?/t42?,43?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:25][CH2:33][C:44]([CH:45]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:21][CH2:29][CH2:38][C:49](=[O:59])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:54]([CH:46]([CH2:35][CH2:27][CH2:22][CH2:23][CH2:28][CH2:37][CH:48]1[CH:53]([CH:51]([CH:52]2[CH:47]([CH2:36][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:61])[O:67]1)[OH:58])=[O:62])[O:65][C:50]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])=[O:56] |
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