| Properties | Image |
|---|
| MNX_ID | MNXM1183817 |
 |
| reference | envipathM:...74b188ce534f |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | MDTGUSUCOSHOIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)63-42(40-61-50(58)37-30-24-23-26-32-43(55)52-47(65-52)36-29-21-11-8-5-2)41-62-54(60)45(57)34-28-25-27-33-44(56)53-49(66-53)39-48-46(64-48)35-9-6-3/h12-13,15-16,21,29,42-43,46-49,52-53,55H,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)CCCCCC(=O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(59)63-42(40-61-50(58)37-30-24-23-26-32-43(55)52-47(65-52)36-29-21-11-8-5-2)41-62-54(60)45(57)34-28-25-27-33-44(56)53-49(66-53)39-48-46(64-48)35-9-6-3/h12-13,15-16,21,29,42-43,46-49,52-53,55H,4-11,14,17-20,22-28,30-41H2,1-3H3/b13-12?,16-15?,29-21?/t42?,43?,46?,47?,48?,49?,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][CH2:31][CH2:38][C:51](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:50]([CH2:37][CH2:30][CH2:24][CH2:23][CH2:26][CH2:32][CH:43]([CH:52]1[CH:47]([CH2:36][CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:55])=[O:58])[CH2:41][O:62][C:54]([C:45]([CH2:34][CH2:28][CH2:25][CH2:27][CH2:33][C:44]([CH:53]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:64]2)[O:66]1)=[O:56])=[O:57])=[O:60] |
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