| Properties | Image |
|---|
| MNX_ID | MNXM1179782 |
 |
| reference | envipathM:...00ac2563ba8c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SSIQDQNNJPKGMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-20-26-32-42(55)51(60)54(61)64-41(40-63-50(59)37-30-24-19-22-28-35-46-52(66-46)44(57)33-25-10-8-5-2)39-62-49(58)36-29-23-18-21-27-34-45-47(65-45)38-48-53(67-48)43(56)31-6-3/h14-15,25,33,41-48,51-53,55-57,60H,4-13,16-24,26-32,34-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)C(O)C(O)CCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-20-26-32-42(55)51(60)54(61)64-41(40-63-50(59)37-30-24-19-22-28-35-46-52(66-46)44(57)33-25-10-8-5-2)39-62-49(58)36-29-23-18-21-27-34-45-47(65-45)38-48-53(67-48)43(56)31-6-3/h14-15,25,33,41-48,51-53,55-57,60H,4-13,16-24,26-32,34-40H2,1-3H3/b15-14?,33-25?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:20][CH2:26][CH2:32][CH:42]([CH:51]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:29][CH2:23][CH2:18][CH2:21][CH2:27][CH2:34][CH:45]1[CH:47]([CH2:38][CH:48]2[CH:53]([CH:43]([CH2:31][CH2:6][CH3:3])[OH:56])[O:67]2)[O:65]1)=[O:58])[CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:19][CH2:22][CH2:28][CH2:35][CH:46]1[CH:52]([CH:44]([CH:33]=[CH:25][CH2:10][CH2:8][CH2:5][CH3:2])[OH:57])[O:66]1)=[O:59])[OH:60])[OH:55] |
|