| Properties | Image |
|---|
| MNX_ID | MNXM1246841 |
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| reference | envipathM:...a362a1a08ad6 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LSZXFWOGBYRUGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-14-23-32-46-47(65-46)33-24-17-12-19-26-35-51(59)62-39-43(64-54(61)45(58)31-22-16-11-10-15-21-30-42(56)37-41(55)29-8-5-2)40-63-52(60)36-27-20-13-18-25-34-48-49(66-48)38-50-53(67-50)44(57)28-6-3/h14,21,23,30,41,43-50,53,55,57-58H,4-13,15-20,22,24-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CC(=O)CC(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-14-23-32-46-47(65-46)33-24-17-12-19-26-35-51(59)62-39-43(64-54(61)45(58)31-22-16-11-10-15-21-30-42(56)37-41(55)29-8-5-2)40-63-52(60)36-27-20-13-18-25-34-48-49(66-48)38-50-53(67-50)44(57)28-6-3/h14,21,23,30,41,43-50,53,55,57-58H,4-13,15-20,22,24-29,31-40H2,1-3H3/b23-14?,30-21?/t41?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:19][CH2:26][CH2:35][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:52]([CH2:36][CH2:27][CH2:20][CH2:13][CH2:18][CH2:25][CH2:34][CH:48]2[CH:49]([CH2:38][CH:50]3[CH:53]([CH:44]([CH2:28][CH2:6][CH3:3])[OH:57])[O:67]3)[O:66]2)=[O:60])[O:64][C:54]([CH:45]([CH2:31][CH2:22][CH2:16][CH2:11][CH2:10][CH2:15][CH:21]=[CH:30][C:42]([CH2:37][CH:41]([CH2:29][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])[OH:58])=[O:61])[O:65]1 |
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