| Properties | Image |
|---|
| MNX_ID | MNXM1175381 |
 |
| reference | envipathM:...9eca9a77f5e7 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | DZVIVONPUMLEIO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-12-18-29-44(57)45(58)30-19-17-24-37-54(61)64-43(40-62-52(59)35-22-15-10-13-20-32-46-47(65-46)34-25-27-42(56)28-26-38-55)41-63-53(60)36-23-16-11-14-21-33-49-51(67-49)39-50-48(66-50)31-6-4-2/h8-9,18,25,27,29,43-51,55,57-58H,3-7,10-17,19-24,26,28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-12-18-29-44(57)45(58)30-19-17-24-37-54(61)64-43(40-62-52(59)35-22-15-10-13-20-32-46-47(65-46)34-25-27-42(56)28-26-38-55)41-63-53(60)36-23-16-11-14-21-33-49-51(67-49)39-50-48(66-50)31-6-4-2/h8-9,18,25,27,29,43-51,55,57-58H,3-7,10-17,19-24,26,28,30-41H2,1-2H3/b9-8?,27-25?,29-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:12][CH:18]=[CH:29][CH:44]([CH:45]([CH2:30][CH2:19][CH2:17][CH2:24][CH2:37][C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:35][CH2:22][CH2:15][CH2:10][CH2:13][CH2:20][CH2:32][CH:46]1[CH:47]([CH2:34][CH:25]=[CH:27][C:42]([CH2:28][CH2:26][CH2:38][OH:55])=[O:56])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:36][CH2:23][CH2:16][CH2:11][CH2:14][CH2:21][CH2:33][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:60])[OH:58])[OH:57] |
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