| Properties | Image |
|---|
| MNX_ID | MNXM1185075 |
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| reference | envipathM:...ad8b996f0821 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | WDLCJKQEBMPAGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-10-21-30-46-47(65-46)31-22-12-8-14-24-33-52(59)62-41-45(64-54(61)35-26-17-16-20-29-43(57)28-19-11-6-5-7-18-27-38-55)42-63-53(60)34-25-15-9-13-23-32-48-50(66-48)39-51-49(67-51)37-36-44(58)40-56/h5-6,10,19,21,28,40,43-51,55,57-58H,2-4,7-9,11-18,20,22-27,29-39,41-42H2,1H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)C=O)OC(=O)CCCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-10-21-30-46-47(65-46)31-22-12-8-14-24-33-52(59)62-41-45(64-54(61)35-26-17-16-20-29-43(57)28-19-11-6-5-7-18-27-38-55)42-63-53(60)34-25-15-9-13-23-32-48-50(66-48)39-51-49(67-51)37-36-44(58)40-56/h5-6,10,19,21,28,40,43-51,55,57-58H,2-4,7-9,11-18,20,22-27,29-39,41-42H2,1H3/b6-5?,21-10?,28-19?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:10]=[CH:21][CH2:30][CH:46]1[CH:47]([CH2:31][CH2:22][CH2:12][CH2:8][CH2:14][CH2:24][CH2:33][C:52](=[O:59])[O:62][CH2:41][CH:45]([CH2:42][O:63][C:53]([CH2:34][CH2:25][CH2:15][CH2:9][CH2:13][CH2:23][CH2:32][CH:48]2[CH:50]([CH2:39][CH:51]3[CH:49]([CH2:37][CH2:36][CH:44]([CH:40]=[O:56])[OH:58])[O:67]3)[O:66]2)=[O:60])[O:64][C:54]([CH2:35][CH2:26][CH2:17][CH2:16][CH2:20][CH2:29][CH:43]([CH:28]=[CH:19][CH2:11][CH:6]=[CH:5][CH2:7][CH2:18][CH2:27][CH2:38][OH:55])[OH:57])=[O:61])[O:65]1 |
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