| Properties | Image |
|---|
| MNX_ID | MNXM1182380 |
 |
| reference | envipathM:...a30561b767c8 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | IBIKRKMGZPPGKE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-17-22-30-42(55)31-28-29-33-45(57)53(61)54(62)65-43(41-64-52(60)38-27-21-15-19-25-36-48-47(66-48)35-24-16-11-8-5-2)40-63-51(59)37-26-20-14-18-23-32-44(56)46(58)39-50-49(67-50)34-9-6-3/h12-13,16,22,24,30,43-50,53,56-58,61H,4-11,14-15,17-21,23,25-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-17-22-30-42(55)31-28-29-33-45(57)53(61)54(62)65-43(41-64-52(60)38-27-21-15-19-25-36-48-47(66-48)35-24-16-11-8-5-2)40-63-51(59)37-26-20-14-18-23-32-44(56)46(58)39-50-49(67-50)34-9-6-3/h12-13,16,22,24,30,43-50,53,56-58,61H,4-11,14-15,17-21,23,25-29,31-41H2,1-3H3/b13-12?,24-16?,30-22?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:22]=[CH:30][C:42]([CH2:31][CH2:28][CH2:29][CH2:33][CH:45]([CH:53]([C:54](=[O:62])[O:65][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:26][CH2:20][CH2:14][CH2:18][CH2:23][CH2:32][CH:44]([CH:46]([CH2:39][CH:50]1[CH:49]([CH2:34][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:58])[OH:56])=[O:59])[CH2:41][O:64][C:52]([CH2:38][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:36][CH:48]1[CH:47]([CH2:35][CH:24]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:60])[OH:61])[OH:57])=[O:55] |
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