| Properties | Image |
|---|
| MNX_ID | MNXM1171062 |
 |
| reference | envipathM:...6bd2953ad35f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | MDAASTYQRZVKSZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-33-48-49(65-48)40-50-54(66-50)45(57)32-23-20-21-26-37-52(59)62-42-44(63-53(60)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-61-51(58)36-25-19-16-17-24-34-46-47(64-46)35-29-31-43(56)30-4-2/h11,13,29,31,39,43-50,54,56-57H,3-10,12,14-28,30,32-38,40-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCCCCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-33-48-49(65-48)40-50-54(66-50)45(57)32-23-20-21-26-37-52(59)62-42-44(63-53(60)38-27-18-14-12-10-8-6-7-9-11-13-15-22-28-39-55)41-61-51(58)36-25-19-16-17-24-34-46-47(64-46)35-29-31-43(56)30-4-2/h11,13,29,31,39,43-50,54,56-57H,3-10,12,14-28,30,32-38,40-42H2,1-2H3/b13-11?,31-29?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]1[CH:49]([CH2:40][CH:50]2[CH:54]([CH:45]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:26][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:51]([CH2:36][CH2:25][CH2:19][CH2:16][CH2:17][CH2:24][CH2:34][CH:46]3[CH:47]([CH2:35][CH:29]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])[O:64]3)=[O:58])[O:63][C:53]([CH2:38][CH2:27][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:22][CH2:28][CH:39]=[O:55])=[O:60])[OH:57])[O:66]2)[O:65]1 |
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