| Properties | Image |
|---|
| MNX_ID | MNXM1188692 |
 |
| reference | envipathM:...22984d54a6e6 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WNDQTLDECZDGIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-38-52(61)65-43(41-64-51(60)37-27-23-22-24-33-45(57)54-48(67-54)35-29-32-42(55)30-5-2)40-63-50(59)36-26-21-18-19-25-34-47-49(66-47)39-46(58)53(62)44(56)31-6-3/h9-10,12-13,29,32,42-49,54-58H,4-8,11,14-28,30-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)C(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-38-52(61)65-43(41-64-51(60)37-27-23-22-24-33-45(57)54-48(67-54)35-29-32-42(55)30-5-2)40-63-50(59)36-26-21-18-19-25-34-47-49(66-47)39-46(58)53(62)44(56)31-6-3/h9-10,12-13,29,32,42-49,54-58H,4-8,11,14-28,30-31,33-41H2,1-3H3/b10-9?,13-12?,32-29?/t42?,43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:28][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:40][O:63][C:50]([CH2:36][CH2:26][CH2:21][CH2:18][CH2:19][CH2:25][CH2:34][CH:47]1[CH:49]([CH2:39][CH:46]([C:53]([CH:44]([CH2:31][CH2:6][CH3:3])[OH:56])=[O:62])[OH:58])[O:66]1)=[O:59])[CH2:41][O:64][C:51]([CH2:37][CH2:27][CH2:23][CH2:22][CH2:24][CH2:33][CH:45]([CH:54]1[CH:48]([CH2:35][CH:29]=[CH:32][CH:42]([CH2:30][CH2:5][CH3:2])[OH:55])[O:67]1)[OH:57])=[O:60] |
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