| Properties | Image |
|---|
| MNX_ID | MNXM1194564 |
 |
| reference | envipathM:...8676cc477a60 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WFPHKFKUSOEZPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-21-30-43(56)31-22-15-11-10-12-18-27-39-51(60)65-44(40-63-49(58)37-25-19-13-16-23-34-46-47(66-46)36-28-32-42(55)29-6-3)41-64-50(59)38-26-20-14-17-24-35-48-54(67-48)53(62)52(61)45(57)33-8-5-2/h21-22,28,30-32,42-48,52,54-57,61H,4-20,23-27,29,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1C(=O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-21-30-43(56)31-22-15-11-10-12-18-27-39-51(60)65-44(40-63-49(58)37-25-19-13-16-23-34-46-47(66-46)36-28-32-42(55)29-6-3)41-64-50(59)38-26-20-14-17-24-35-48-54(67-48)53(62)52(61)45(57)33-8-5-2/h21-22,28,30-32,42-48,52,54-57,61H,4-20,23-27,29,33-41H2,1-3H3/b30-21?,31-22?,32-28?/t42?,43?,44?,45?,46?,47?,48?,52?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:21]=[CH:30][CH:43]([CH:31]=[CH:22][CH2:15][CH2:11][CH2:10][CH2:12][CH2:18][CH2:27][CH2:39][C:51](=[O:60])[O:65][CH:44]([CH2:40][O:63][C:49]([CH2:37][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:34][CH:46]1[CH:47]([CH2:36][CH:28]=[CH:32][CH:42]([CH2:29][CH2:6][CH3:3])[OH:55])[O:66]1)=[O:58])[CH2:41][O:64][C:50]([CH2:38][CH2:26][CH2:20][CH2:14][CH2:17][CH2:24][CH2:35][CH:48]1[CH:54]([C:53]([CH:52]([CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:57])[OH:61])=[O:62])[O:67]1)=[O:59])[OH:56] |
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