| Properties | Image |
|---|
| MNX_ID | MNXM1313451 |
 |
| reference | envipathM:...ef52fc1cd7b0 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | SAMKREUAEPVPBQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-2-3-4-15-23-32-46-47(64-46)33-24-17-13-20-26-36-52(58)61-42-45(63-54(60)38-28-19-12-10-8-6-5-7-9-11-16-22-31-44(57)41-56)43-62-53(59)37-27-21-14-18-25-34-48-50(65-48)40-51-49(66-51)35-29-30-39-55/h5,7,11,15-16,23,39,45-51,56H,2-4,6,8-10,12-14,17-22,24-38,40-43H2,1H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O)OC(=O)CCCCCCCC=CCC=CCCC(=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-2-3-4-15-23-32-46-47(64-46)33-24-17-13-20-26-36-52(58)61-42-45(63-54(60)38-28-19-12-10-8-6-5-7-9-11-16-22-31-44(57)41-56)43-62-53(59)37-27-21-14-18-25-34-48-50(65-48)40-51-49(66-51)35-29-30-39-55/h5,7,11,15-16,23,39,45-51,56H,2-4,6,8-10,12-14,17-22,24-38,40-43H2,1H3/b7-5?,16-11?,23-15?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:15]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:36][C:52](=[O:58])[O:61][CH2:42][CH:45]([CH2:43][O:62][C:53]([CH2:37][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:34][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:35][CH2:29][CH2:30][CH:39]=[O:55])[O:66]3)[O:65]2)=[O:59])[O:63][C:54]([CH2:38][CH2:28][CH2:19][CH2:12][CH2:10][CH2:8][CH2:6][CH:5]=[CH:7][CH2:9][CH:11]=[CH:16][CH2:22][CH2:31][C:44]([CH2:41][OH:56])=[O:57])=[O:60])[O:64]1 |
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