| Properties | Image |
|---|
| MNX_ID | MNXM1192031 |
 |
| reference | envipathM:...9d9e9b9a9142 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | GYDQZYXDHJXOCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(58)63-43(40-61-53(59)44(56)32-24-20-22-26-35-46-47(64-46)37-29-31-42(55)30-6-3)41-62-54(60)45(57)33-25-21-23-27-36-49-51(66-49)39-50-48(65-50)34-8-5-2/h13-14,29,31,42-44,46-51,55-56H,4-12,15-28,30,32-41H2,1-3H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(58)63-43(40-61-53(59)44(56)32-24-20-22-26-35-46-47(64-46)37-29-31-42(55)30-6-3)41-62-54(60)45(57)33-25-21-23-27-36-49-51(66-49)39-50-48(65-50)34-8-5-2/h13-14,29,31,42-44,46-51,55-56H,4-12,15-28,30,32-41H2,1-3H3/b14-13?,31-29?/t42?,43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:28][CH2:38][C:52](=[O:58])[O:63][CH:43]([CH2:40][O:61][C:53]([CH:44]([CH2:32][CH2:24][CH2:20][CH2:22][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:37][CH:29]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[O:64]1)[OH:56])=[O:59])[CH2:41][O:62][C:54]([C:45]([CH2:33][CH2:25][CH2:21][CH2:23][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:57])=[O:60] |
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