| Properties | Image |
|---|
| MNX_ID | MNXM1192051 |
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| reference | envipathM:...39f3fd79cb13 |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | HAEDSDXOTQKNGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-39-54(59)62-45(42-60-52(57)37-25-21-16-18-23-33-46-47(63-46)36-30-32-44(56)31-4-2)43-61-53(58)38-26-22-17-19-24-34-48-50(64-48)41-51-49(65-51)35-28-29-40-55/h10-11,30,32,40,45-51H,3-9,12-29,31,33-39,41-43H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-39-54(59)62-45(42-60-52(57)37-25-21-16-18-23-33-46-47(63-46)36-30-32-44(56)31-4-2)43-61-53(58)38-26-22-17-19-24-34-48-50(64-48)41-51-49(65-51)35-28-29-40-55/h10-11,30,32,40,45-51H,3-9,12-29,31,33-39,41-43H2,1-2H3/b11-10?,32-30?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:27][CH2:39][C:54](=[O:59])[O:62][CH:45]([CH2:42][O:60][C:52]([CH2:37][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:36][CH:30]=[CH:32][C:44]([CH2:31][CH2:4][CH3:2])=[O:56])[O:63]1)=[O:57])[CH2:43][O:61][C:53]([CH2:38][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:34][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:35][CH2:28][CH2:29][CH:40]=[O:55])[O:65]2)[O:64]1)=[O:58] |
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