| Properties | Image |
|---|
| MNX_ID | MNXM1195356 |
 |
| reference | envipathM:...bdb6cc1fecd6 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | HRHLDARMNFEFCB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(58)63-42(40-61-48(57)38-31-26-24-27-33-43(55)51-45(64-51)36-29-21-11-8-5-2)41-62-54(60)44(56)34-28-23-25-30-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h12-13,15-16,21,29,42,44-47,51-53,56H,4-11,14,17-20,22-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(=O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(58)63-42(40-61-48(57)38-31-26-24-27-33-43(55)51-45(64-51)36-29-21-11-8-5-2)41-62-54(60)44(56)34-28-23-25-30-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h12-13,15-16,21,29,42,44-47,51-53,56H,4-11,14,17-20,22-28,30-41H2,1-3H3/b13-12?,16-15?,29-21?/t42?,44?,45?,46?,47?,51?,52?,53? |
 |
| 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][CH2:32][CH2:39][C:49](=[O:58])[O:63][CH:42]([CH2:40][O:61][C:48]([CH2:38][CH2:31][CH2:26][CH2:24][CH2:27][CH2:33][C:43]([CH:51]1[CH:45]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:55])=[O:57])[CH2:41][O:62][C:54]([CH:44]([CH2:34][CH2:28][CH2:23][CH2:25][CH2:30][CH2:37][CH:47]1[CH:53]([C:50]([CH:52]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)=[O:59])[O:66]1)[OH:56])=[O:60] |
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