| Properties | Image |
|---|
| MNX_ID | MNXM1138695 |
 |
| reference | envipathM:...a97254b4929a |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | WUMFWGSKOZEITO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-18-27-43(57)28-19-12-8-7-9-15-24-35-54(61)64-45(40-62-52(59)33-22-16-10-13-20-30-46-47(65-46)32-25-29-42(56)26-4-2)41-63-53(60)34-23-17-11-14-21-31-48-50(66-48)38-51-49(67-51)37-36-44(58)39-55/h18-19,25,27-29,39,42-51,56-58H,3-17,20-24,26,30-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-18-27-43(57)28-19-12-8-7-9-15-24-35-54(61)64-45(40-62-52(59)33-22-16-10-13-20-30-46-47(65-46)32-25-29-42(56)26-4-2)41-63-53(60)34-23-17-11-14-21-31-48-50(66-48)38-51-49(67-51)37-36-44(58)39-55/h18-19,25,27-29,39,42-51,56-58H,3-17,20-24,26,30-38,40-41H2,1-2H3/b27-18?,28-19?,29-25?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:18]=[CH:27][CH:43]([CH:28]=[CH:19][CH2:12][CH2:8][CH2:7][CH2:9][CH2:15][CH2:24][CH2:35][C:54](=[O:61])[O:64][CH:45]([CH2:40][O:62][C:52]([CH2:33][CH2:22][CH2:16][CH2:10][CH2:13][CH2:20][CH2:30][CH:46]1[CH:47]([CH2:32][CH:25]=[CH:29][CH:42]([CH2:26][CH2:4][CH3:2])[OH:56])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:34][CH2:23][CH2:17][CH2:11][CH2:14][CH2:21][CH2:31][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:37][CH2:36][CH:44]([CH:39]=[O:55])[OH:58])[O:67]2)[O:66]1)=[O:60])[OH:57] |
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