| Properties | Image |
|---|
| MNX_ID | MNXM1196403 |
 |
| reference | envipathM:...b3e87b29ccb1 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | GQVKXWFVIGWWEX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-21-27-34-45(57)54(60)63-42(40-61-51(58)38-31-23-20-22-30-37-48-52(66-48)43(55)32-26-11-8-5-2)41-62-53(59)44(56)33-28-24-25-29-36-47-50(65-47)39-49-46(64-49)35-9-6-3/h15-16,26,32,42-43,45-50,52,55,57H,4-14,17-25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-21-27-34-45(57)54(60)63-42(40-61-51(58)38-31-23-20-22-30-37-48-52(66-48)43(55)32-26-11-8-5-2)41-62-53(59)44(56)33-28-24-25-29-36-47-50(65-47)39-49-46(64-49)35-9-6-3/h15-16,26,32,42-43,45-50,52,55,57H,4-14,17-25,27-31,33-41H2,1-3H3/b16-15?,32-26?/t42?,43?,45?,46?,47?,48?,49?,50?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:27][CH2:34][CH:45]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:51]([CH2:38][CH2:31][CH2:23][CH2:20][CH2:22][CH2:30][CH2:37][CH:48]1[CH:52]([CH:43]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:66]1)=[O:58])[CH2:41][O:62][C:53]([C:44]([CH2:33][CH2:28][CH2:24][CH2:25][CH2:29][CH2:36][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)=[O:56])=[O:59])[OH:57] |
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