| Properties | Image |
|---|
| MNX_ID | MNXM1176854 |
 |
| reference | envipathM:...07d2fc3c9086 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | ATZBQTMCZDEQIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-8-9-12-21-30-43(56)31-22-16-19-28-38-53(59)63-44(41-61-52(58)37-27-15-10-13-24-34-46-47(64-46)35-25-14-11-20-29-39-55)42-62-54(60)45(57)32-23-17-18-26-36-49-51(66-49)40-50-48(65-50)33-6-4-2/h8-9,14,21,25,30,39,43-51,56-57H,3-7,10-13,15-20,22-24,26-29,31-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-8-9-12-21-30-43(56)31-22-16-19-28-38-53(59)63-44(41-61-52(58)37-27-15-10-13-24-34-46-47(64-46)35-25-14-11-20-29-39-55)42-62-54(60)45(57)32-23-17-18-26-36-49-51(66-49)40-50-48(65-50)33-6-4-2/h8-9,14,21,25,30,39,43-51,56-57H,3-7,10-13,15-20,22-24,26-29,31-38,40-42H2,1-2H3/b9-8?,25-14?,30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:12][CH:21]=[CH:30][CH:43]([CH2:31][CH2:22][CH2:16][CH2:19][CH2:28][CH2:38][C:53](=[O:59])[O:63][CH:44]([CH2:41][O:61][C:52]([CH2:37][CH2:27][CH2:15][CH2:10][CH2:13][CH2:24][CH2:34][CH:46]1[CH:47]([CH2:35][CH:25]=[CH:14][CH2:11][CH2:20][CH2:29][CH:39]=[O:55])[O:64]1)=[O:58])[CH2:42][O:62][C:54]([CH:45]([CH2:32][CH2:23][CH2:17][CH2:18][CH2:26][CH2:36][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)[OH:57])=[O:60])[OH:56] |
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