| Properties | Image |
|---|
| MNX_ID | MNXM1196295 |
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| reference | envipathM:...d2069f5ec499 |
| formula | C54H92O11 |
| global charge | 0 |
| mol weight | 917.319 |
| InChIKey | IBTPPYJZLBJHQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O11/c1-4-7-9-10-11-14-21-30-44(56)31-22-19-20-27-39-54(59)62-45(41-60-52(57)37-25-17-12-15-23-34-46-47(63-46)36-28-32-43(55)29-6-3)42-61-53(58)38-26-18-13-16-24-35-49-51(65-49)40-50-48(64-50)33-8-5-2/h10-11,21,30,43,45-51,55H,4-9,12-20,22-29,31-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O11/c1-4-7-9-10-11-14-21-30-44(56)31-22-19-20-27-39-54(59)62-45(41-60-52(57)37-25-17-12-15-23-34-46-47(63-46)36-28-32-43(55)29-6-3)42-61-53(58)38-26-18-13-16-24-35-49-51(65-49)40-50-48(64-50)33-8-5-2/h10-11,21,30,43,45-51,55H,4-9,12-20,22-29,31-42H2,1-3H3/b11-10?,30-21?/t43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:14][CH:21]=[CH:30][C:44]([CH2:31][CH2:22][CH2:19][CH2:20][CH2:27][CH2:39][C:54](=[O:59])[O:62][CH:45]([CH2:41][O:60][C:52]([CH2:37][CH2:25][CH2:17][CH2:12][CH2:15][CH2:23][CH2:34][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:32][CH:43]([CH2:29][CH2:6][CH3:3])[OH:55])[O:63]1)=[O:57])[CH2:42][O:61][C:53]([CH2:38][CH2:26][CH2:18][CH2:13][CH2:16][CH2:24][CH2:35][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:58])=[O:56] |
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