| Properties | Image |
|---|
| MNX_ID | MNXM1195929 |
 |
| reference | envipathM:...cd4ba1bafcab |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | GOJQBNCZBJIMJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-13-20-29-43(56)54(61)44(57)30-26-27-37-53(60)64-42(40-62-51(58)35-24-17-10-14-21-32-45-46(65-45)33-22-16-12-19-28-38-55)41-63-52(59)36-25-18-11-15-23-34-48-50(67-48)39-49-47(66-49)31-6-4-2/h8-9,16,20,22,29,42-50,55-57H,3-7,10-15,17-19,21,23-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)C(=O)C(O)CCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-13-20-29-43(56)54(61)44(57)30-26-27-37-53(60)64-42(40-62-51(58)35-24-17-10-14-21-32-45-46(65-45)33-22-16-12-19-28-38-55)41-63-52(59)36-25-18-11-15-23-34-48-50(67-48)39-49-47(66-49)31-6-4-2/h8-9,16,20,22,29,42-50,55-57H,3-7,10-15,17-19,21,23-28,30-41H2,1-2H3/b9-8?,22-16?,29-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:13][CH:20]=[CH:29][CH:43]([C:54]([CH:44]([CH2:30][CH2:26][CH2:27][CH2:37][C:53](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:35][CH2:24][CH2:17][CH2:10][CH2:14][CH2:21][CH2:32][CH:45]1[CH:46]([CH2:33][CH:22]=[CH:16][CH2:12][CH2:19][CH2:28][CH2:38][OH:55])[O:65]1)=[O:58])[CH2:41][O:63][C:52]([CH2:36][CH2:25][CH2:18][CH2:11][CH2:15][CH2:23][CH2:34][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[OH:57])=[O:61])[OH:56] |
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