| Properties | Image |
|---|
| MNX_ID | MNXM1178793 |
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| reference | envipathM:...e1093308c287 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | FZMMBQNGVVTMHP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-30-48-50(65-48)39-51-49(66-51)32-21-15-12-18-23-35-53(59)62-41-45(63-54(60)36-24-16-10-8-9-13-19-28-44(57)38-37-43(56)27-6-3)40-61-52(58)34-22-17-11-14-20-31-46-47(64-46)33-25-29-42(55)26-5-2/h25,29,37-38,42,44-51,55,57H,4-24,26-28,30-36,39-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCCCC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-30-48-50(65-48)39-51-49(66-51)32-21-15-12-18-23-35-53(59)62-41-45(63-54(60)36-24-16-10-8-9-13-19-28-44(57)38-37-43(56)27-6-3)40-61-52(58)34-22-17-11-14-20-31-46-47(64-46)33-25-29-42(55)26-5-2/h25,29,37-38,42,44-51,55,57H,4-24,26-28,30-36,39-41H2,1-3H3/b29-25?,38-37?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:30][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:32][CH2:21][CH2:15][CH2:12][CH2:18][CH2:23][CH2:35][C:53](=[O:59])[O:62][CH2:41][CH:45]([CH2:40][O:61][C:52]([CH2:34][CH2:22][CH2:17][CH2:11][CH2:14][CH2:20][CH2:31][CH:46]3[CH:47]([CH2:33][CH:25]=[CH:29][CH:42]([CH2:26][CH2:5][CH3:2])[OH:55])[O:64]3)=[O:58])[O:63][C:54]([CH2:36][CH2:24][CH2:16][CH2:10][CH2:8][CH2:9][CH2:13][CH2:19][CH2:28][CH:44]([CH:38]=[CH:37][C:43]([CH2:27][CH2:6][CH3:3])=[O:56])[OH:57])=[O:60])[O:66]2)[O:65]1 |
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