| Properties | Image |
|---|
| MNX_ID | MNXM1179570 |
 |
| reference | envipathM:...f70a9b25b9ca |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | HAKKIRZQDXQCGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-13-23-32-46-47(64-46)33-24-14-12-15-25-34-51(58)61-40-44(63-53(60)36-27-18-16-21-29-43(56)38-37-42(55)28-20-11-8-5-2)41-62-52(59)35-26-19-17-22-30-45(57)54-50(66-54)39-49-48(65-49)31-9-6-3/h13,20,23,28,42,44-50,54-55,57H,4-12,14-19,21-22,24-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCC(=O)CCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-13-23-32-46-47(64-46)33-24-14-12-15-25-34-51(58)61-40-44(63-53(60)36-27-18-16-21-29-43(56)38-37-42(55)28-20-11-8-5-2)41-62-52(59)35-26-19-17-22-30-45(57)54-50(66-54)39-49-48(65-49)31-9-6-3/h13,20,23,28,42,44-50,54-55,57H,4-12,14-19,21-22,24-27,29-41H2,1-3H3/b23-13?,28-20?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:14][CH2:12][CH2:15][CH2:25][CH2:34][C:51](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:52]([CH2:35][CH2:26][CH2:19][CH2:17][CH2:22][CH2:30][CH:45]([CH:54]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:31][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)[OH:57])=[O:59])[O:63][C:53]([CH2:36][CH2:27][CH2:18][CH2:16][CH2:21][CH2:29][C:43]([CH2:38][CH2:37][CH:42]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:60])[O:64]1 |
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