| Properties | Image |
|---|
| MNX_ID | MNXM1189717 |
 |
| reference | envipathM:...04cd68a64000 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | GKEQVJAEADUIDL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-15-11-17-26-36-52(58)61-41-43(63-54(60)38-28-20-22-31-45(57)44(56)30-21-14-9-8-10-19-29-39-55)42-62-53(59)37-27-18-12-16-25-35-49-51(66-49)40-50-48(65-50)32-6-4-2/h8-9,13,21,23,30,43,45-51,55,57H,3-7,10-12,14-20,22,24-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCC(O)C(=O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-15-11-17-26-36-52(58)61-41-43(63-54(60)38-28-20-22-31-45(57)44(56)30-21-14-9-8-10-19-29-39-55)42-62-53(59)37-27-18-12-16-25-35-49-51(66-49)40-50-48(65-50)32-6-4-2/h8-9,13,21,23,30,43,45-51,55,57H,3-7,10-12,14-20,22,24-29,31-42H2,1-2H3/b9-8?,23-13?,30-21?/t43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:15][CH2:11][CH2:17][CH2:26][CH2:36][C:52](=[O:58])[O:61][CH2:41][CH:43]([CH2:42][O:62][C:53]([CH2:37][CH2:27][CH2:18][CH2:12][CH2:16][CH2:25][CH2:35][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:38][CH2:28][CH2:20][CH2:22][CH2:31][CH:45]([C:44]([CH:30]=[CH:21][CH2:14][CH:9]=[CH:8][CH2:10][CH2:19][CH2:29][CH2:39][OH:55])=[O:56])[OH:57])=[O:60])[O:64]1 |
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