| Properties | Image |
|---|
| MNX_ID | MNXM1182560 |
 |
| reference | envipathM:...41eb916f4e2a |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | BOUFWGSKANZEMY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(57)63-42(41-62-54(60)52(58)43(55)32-27-25-30-36-46-45(64-46)35-28-21-11-8-5-2)40-61-53(59)44(56)33-26-23-24-29-37-48-50(66-48)39-49-47(65-49)34-9-6-3/h12-13,15-16,21,28,42,44-50,56H,4-11,14,17-20,22-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)C(=O)CCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(57)63-42(41-62-54(60)52(58)43(55)32-27-25-30-36-46-45(64-46)35-28-21-11-8-5-2)40-61-53(59)44(56)33-26-23-24-29-37-48-50(66-48)39-49-47(65-49)34-9-6-3/h12-13,15-16,21,28,42,44-50,56H,4-11,14,17-20,22-27,29-41H2,1-3H3/b13-12?,16-15?,28-21?/t42?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:31][CH2:38][C:51](=[O:57])[O:63][CH:42]([CH2:40][O:61][C:53]([CH:44]([CH2:33][CH2:26][CH2:23][CH2:24][CH2:29][CH2:37][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:56])=[O:59])[CH2:41][O:62][C:54]([C:52]([C:43]([CH2:32][CH2:27][CH2:25][CH2:30][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:55])=[O:58])=[O:60] |
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