| Properties | Image |
|---|
| MNX_ID | MNXM1192915 |
 |
| reference | envipathM:...8151e2556fdd |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | JRGJSJRYZRXLEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-10-22-32-46-47(65-46)33-23-13-8-15-25-35-51(59)62-40-44(64-53(61)37-27-18-17-20-30-42(56)29-19-11-7-12-21-31-43(57)39-55)41-63-52(60)36-26-16-9-14-24-34-48-49(66-48)38-50-54(67-50)45(58)28-4-2/h7,10,12,19,22,29,42,44-50,54-56,58H,3-6,8-9,11,13-18,20-21,23-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCC(O)C=CCC=CCCC(=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-10-22-32-46-47(65-46)33-23-13-8-15-25-35-51(59)62-40-44(64-53(61)37-27-18-17-20-30-42(56)29-19-11-7-12-21-31-43(57)39-55)41-63-52(60)36-26-16-9-14-24-34-48-49(66-48)38-50-54(67-50)45(58)28-4-2/h7,10,12,19,22,29,42,44-50,54-56,58H,3-6,8-9,11,13-18,20-21,23-28,30-41H2,1-2H3/b12-7?,22-10?,29-19?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:10]=[CH:22][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:23][CH2:13][CH2:8][CH2:15][CH2:25][CH2:35][C:51](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:52]([CH2:36][CH2:26][CH2:16][CH2:9][CH2:14][CH2:24][CH2:34][CH:48]2[CH:49]([CH2:38][CH:50]3[CH:54]([CH:45]([CH2:28][CH2:4][CH3:2])[OH:58])[O:67]3)[O:66]2)=[O:60])[O:64][C:53]([CH2:37][CH2:27][CH2:18][CH2:17][CH2:20][CH2:30][CH:42]([CH:29]=[CH:19][CH2:11][CH:7]=[CH:12][CH2:21][CH2:31][C:43]([CH2:39][OH:55])=[O:57])[OH:56])=[O:61])[O:65]1 |
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