| Properties | Image |
|---|
| MNX_ID | MNXM1178872 |
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| reference | envipathM:...be002cc12c06 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | GFHADMBKBRRFLK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-18-27-35-45-46(65-45)36-28-20-17-21-29-37-48(58)62-40-42(64-54(61)44(57)33-26-19-15-13-11-9-8-10-12-14-16-24-31-39-55)41-63-49(59)38-30-23-22-25-32-43(56)51-53(67-51)50(60)52-47(66-52)34-6-4-2/h12,14,18,27,42-47,50-53,55-57,60H,3-11,13,15-17,19-26,28-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC)OC(=O)C(O)CCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-18-27-35-45-46(65-45)36-28-20-17-21-29-37-48(58)62-40-42(64-54(61)44(57)33-26-19-15-13-11-9-8-10-12-14-16-24-31-39-55)41-63-49(59)38-30-23-22-25-32-43(56)51-53(67-51)50(60)52-47(66-52)34-6-4-2/h12,14,18,27,42-47,50-53,55-57,60H,3-11,13,15-17,19-26,28-41H2,1-2H3/b14-12?,27-18?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:18]=[CH:27][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:21][CH2:29][CH2:37][C:48](=[O:58])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:49]([CH2:38][CH2:30][CH2:23][CH2:22][CH2:25][CH2:32][CH:43]([CH:51]2[CH:53]([CH:50]([CH:52]3[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]3)[OH:60])[O:67]2)[OH:56])=[O:59])[O:64][C:54]([CH:44]([CH2:33][CH2:26][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])[OH:57])=[O:61])[O:65]1 |
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