| Properties | Image |
|---|
| MNX_ID | MNXM1178307 |
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| reference | envipathM:...b45c8e09e72b |
| formula | C54H94O11 |
| global charge | 0 |
| mol weight | 919.335 |
| InChIKey | ZSSQNDAXLJMNDI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O11/c1-4-7-9-17-25-34-46-47(63-46)35-26-19-15-22-28-37-52(57)60-41-43(62-54(59)39-30-21-14-12-10-11-13-18-24-32-45(56)44(55)31-6-3)42-61-53(58)38-29-23-16-20-27-36-49-51(65-49)40-50-48(64-50)33-8-5-2/h13,18,43,45-51,56H,4-12,14-17,19-42H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCC(O)C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O11/c1-4-7-9-17-25-34-46-47(63-46)35-26-19-15-22-28-37-52(57)60-41-43(62-54(59)39-30-21-14-12-10-11-13-18-24-32-45(56)44(55)31-6-3)42-61-53(58)38-29-23-16-20-27-36-49-51(65-49)40-50-48(64-50)33-8-5-2/h13,18,43,45-51,56H,4-12,14-17,19-42H2,1-3H3/b18-13?/t43?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:17][CH2:25][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:37][C:52](=[O:57])[O:60][CH2:41][CH:43]([CH2:42][O:61][C:53]([CH2:38][CH2:29][CH2:23][CH2:16][CH2:20][CH2:27][CH2:36][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:62][C:54]([CH2:39][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:11][CH:13]=[CH:18][CH2:24][CH2:32][CH:45]([C:44]([CH2:31][CH2:6][CH3:3])=[O:55])[OH:56])=[O:59])[O:63]1 |
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