| Properties | Image |
|---|
| MNX_ID | MNXM1192156 |
 |
| reference | envipathM:...0e147df811ef |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CZXKGBYWUYJJIF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-16-21-29-42(55)43(56)30-27-28-32-45(58)54(61)64-41(40-63-53(60)44(57)31-22-19-20-25-35-47-46(65-47)34-23-15-11-8-5-2)39-62-52(59)37-26-18-14-17-24-36-49-51(67-49)38-50-48(66-50)33-9-6-3/h15,21,23,29,41-51,55-58H,4-14,16-20,22,24-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCC(O)C(O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-16-21-29-42(55)43(56)30-27-28-32-45(58)54(61)64-41(40-63-53(60)44(57)31-22-19-20-25-35-47-46(65-47)34-23-15-11-8-5-2)39-62-52(59)37-26-18-14-17-24-36-49-51(67-49)38-50-48(66-50)33-9-6-3/h15,21,23,29,41-51,55-58H,4-14,16-20,22,24-28,30-40H2,1-3H3/b23-15?,29-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:16][CH:21]=[CH:29][CH:42]([CH:43]([CH2:30][CH2:27][CH2:28][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:52]([CH2:37][CH2:26][CH2:18][CH2:14][CH2:17][CH2:24][CH2:36][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:59])[CH2:40][O:63][C:53]([CH:44]([CH2:31][CH2:22][CH2:19][CH2:20][CH2:25][CH2:35][CH:47]1[CH:46]([CH2:34][CH:23]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:57])=[O:60])[OH:58])[OH:56])[OH:55] |
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