| Properties | Image |
|---|
| MNX_ID | MNXM1181874 |
 |
| reference | envipathM:...2a1b20d59651 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FQNCQVDUXUBKEI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-51(60)65-42(40-63-50(59)37-28-25-21-23-27-36-48-47(66-48)35-26-22-11-8-5-2)41-64-54(62)45(57)34-31-30-33-44(56)52(61)53-49(67-53)39-46(58)43(55)32-9-6-3/h12-13,15-16,22,26,42-49,53,55-58H,4-11,14,17-21,23-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCC(O)C(=O)C1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-51(60)65-42(40-63-50(59)37-28-25-21-23-27-36-48-47(66-48)35-26-22-11-8-5-2)41-64-54(62)45(57)34-31-30-33-44(56)52(61)53-49(67-53)39-46(58)43(55)32-9-6-3/h12-13,15-16,22,26,42-49,53,55-58H,4-11,14,17-21,23-25,27-41H2,1-3H3/b13-12?,16-15?,26-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:28][CH2:25][CH2:21][CH2:23][CH2:27][CH2:36][CH:48]1[CH:47]([CH2:35][CH:26]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:59])[CH2:41][O:64][C:54]([CH:45]([CH2:34][CH2:31][CH2:30][CH2:33][CH:44]([C:52]([CH:53]1[CH:49]([CH2:39][CH:46]([CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:67]1)=[O:61])[OH:56])[OH:57])=[O:62] |
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