| Properties | Image |
|---|
| MNX_ID | MNXM1181250 |
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| reference | envipathM:...d68dcfaf0f17 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | AXOKUTCOMJFNQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-20-29-43(56)39-44(57)30-21-12-8-18-27-37-54(60)63-45(41-61-52(58)35-25-16-9-13-22-32-46-47(64-46)33-23-15-11-19-28-38-55)42-62-53(59)36-26-17-10-14-24-34-49-51(66-49)40-50-48(65-50)31-6-4-2/h15,20,23,29,44-51,55,57H,3-14,16-19,21-22,24-28,30-42H2,1-2H3 |
| SMILES | CCCCC=CC(=O)CC(O)CCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-20-29-43(56)39-44(57)30-21-12-8-18-27-37-54(60)63-45(41-61-52(58)35-25-16-9-13-22-32-46-47(64-46)33-23-15-11-19-28-38-55)42-62-53(59)36-26-17-10-14-24-34-49-51(66-49)40-50-48(65-50)31-6-4-2/h15,20,23,29,44-51,55,57H,3-14,16-19,21-22,24-28,30-42H2,1-2H3/b23-15?,29-20?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:29][C:43]([CH2:39][CH:44]([CH2:30][CH2:21][CH2:12][CH2:8][CH2:18][CH2:27][CH2:37][C:54](=[O:60])[O:63][CH:45]([CH2:41][O:61][C:52]([CH2:35][CH2:25][CH2:16][CH2:9][CH2:13][CH2:22][CH2:32][CH:46]1[CH:47]([CH2:33][CH:23]=[CH:15][CH2:11][CH2:19][CH2:28][CH2:38][OH:55])[O:64]1)=[O:58])[CH2:42][O:62][C:53]([CH2:36][CH2:26][CH2:17][CH2:10][CH2:14][CH2:24][CH2:34][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:59])[OH:57])=[O:56] |
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