| Properties | Image |
|---|
| MNX_ID | MNXM1171911 |
 |
| reference | envipathM:...07810c2b7556 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | LZGJGYSEEVKJNL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-15-22-30-41(55)31-23-16-21-29-38-49(58)64-42(39-62-53(60)43(56)32-24-17-19-27-36-46-45(65-46)35-26-14-11-8-5-2)40-63-54(61)44(57)33-25-18-20-28-37-48-52(67-48)50(59)51-47(66-51)34-9-6-3/h12-14,22,26,30,42-48,50-52,56-57,59H,4-11,15-21,23-25,27-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-15-22-30-41(55)31-23-16-21-29-38-49(58)64-42(39-62-53(60)43(56)32-24-17-19-27-36-46-45(65-46)35-26-14-11-8-5-2)40-63-54(61)44(57)33-25-18-20-28-37-48-52(67-48)50(59)51-47(66-51)34-9-6-3/h12-14,22,26,30,42-48,50-52,56-57,59H,4-11,15-21,23-25,27-29,31-40H2,1-3H3/b13-12?,26-14?,30-22?/t42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:22]=[CH:30][C:41]([CH2:31][CH2:23][CH2:16][CH2:21][CH2:29][CH2:38][C:49](=[O:58])[O:64][CH:42]([CH2:39][O:62][C:53]([CH:43]([CH2:32][CH2:24][CH2:17][CH2:19][CH2:27][CH2:36][CH:46]1[CH:45]([CH2:35][CH:26]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:56])=[O:60])[CH2:40][O:63][C:54]([CH:44]([CH2:33][CH2:25][CH2:18][CH2:20][CH2:28][CH2:37][CH:48]1[CH:52]([CH:50]([CH:51]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:59])[O:67]1)[OH:57])=[O:61])=[O:55] |
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