| Properties | Image |
|---|
| MNX_ID | MNXM1196113 |
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| reference | envipathM:...02d43d723e03 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | BRGVXQJUFVETGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-28-38-53(60)63-44(43-62-52(59)37-27-21-20-23-32-45(57)54-48(66-54)35-25-17-15-22-30-39-55)42-61-51(58)36-26-19-14-16-24-33-46-49(64-46)41-50-47(65-50)34-29-31-40-56/h5-6,17,25,39,44-50,54,56-57H,2-4,7-16,18-24,26-38,40-43H2,1H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-28-38-53(60)63-44(43-62-52(59)37-27-21-20-23-32-45(57)54-48(66-54)35-25-17-15-22-30-39-55)42-61-51(58)36-26-19-14-16-24-33-46-49(64-46)41-50-47(65-50)34-29-31-40-56/h5-6,17,25,39,44-50,54,56-57H,2-4,7-16,18-24,26-38,40-43H2,1H3/b6-5?,25-17?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:18][CH2:28][CH2:38][C:53](=[O:60])[O:63][CH:44]([CH2:42][O:61][C:51]([CH2:36][CH2:26][CH2:19][CH2:14][CH2:16][CH2:24][CH2:33][CH:46]1[CH:49]([CH2:41][CH:50]2[CH:47]([CH2:34][CH2:29][CH2:31][CH2:40][OH:56])[O:65]2)[O:64]1)=[O:58])[CH2:43][O:62][C:52]([CH2:37][CH2:27][CH2:21][CH2:20][CH2:23][CH2:32][CH:45]([CH:54]1[CH:48]([CH2:35][CH:25]=[CH:17][CH2:15][CH2:22][CH2:30][CH:39]=[O:55])[O:66]1)[OH:57])=[O:59] |
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