| Properties | Image |
|---|
| MNX_ID | MNXM1187350 |
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| reference | envipathM:...21488a56e44c |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | BGMIKWOMQOQYIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-37-54(60)63-45(42-62-53(59)36-27-23-18-20-25-33-49-51(66-49)39-50-48(65-50)31-6-4-2)41-61-52(58)35-26-22-17-19-24-32-46-47(64-46)34-29-30-43(56)38-44(57)40-55/h8-9,11-12,29-30,44-51,55,57H,3-7,10,13-28,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CC(O)CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-37-54(60)63-45(42-62-53(59)36-27-23-18-20-25-33-49-51(66-49)39-50-48(65-50)31-6-4-2)41-61-52(58)35-26-22-17-19-24-32-46-47(64-46)34-29-30-43(56)38-44(57)40-55/h8-9,11-12,29-30,44-51,55,57H,3-7,10,13-28,31-42H2,1-2H3/b9-8?,12-11?,30-29?/t44?,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][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:28][CH2:37][C:54](=[O:60])[O:63][CH:45]([CH2:41][O:61][C:52]([CH2:35][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:32][CH:46]1[CH:47]([CH2:34][CH:29]=[CH:30][C:43]([CH2:38][CH:44]([CH2:40][OH:55])[OH:57])=[O:56])[O:64]1)=[O:58])[CH2:42][O:62][C:53]([CH2:36][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:33][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:59] |
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