| Properties | Image |
|---|
| MNX_ID | MNXM1181358 |
 |
| reference | envipathM:...bf085089bc3e |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | HTUUTCNMJLFADR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-19-28-43(56)29-20-13-9-8-10-16-25-38-54(60)63-45(41-61-52(58)36-23-17-11-14-21-33-46-47(64-46)35-26-30-44(57)31-27-39-55)42-62-53(59)37-24-18-12-15-22-34-49-51(66-49)40-50-48(65-50)32-6-4-2/h20,26,29-30,44-51,55,57H,3-19,21-25,27-28,31-42H2,1-2H3 |
| SMILES | CCCCCCC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-19-28-43(56)29-20-13-9-8-10-16-25-38-54(60)63-45(41-61-52(58)36-23-17-11-14-21-33-46-47(64-46)35-26-30-44(57)31-27-39-55)42-62-53(59)37-24-18-12-15-22-34-49-51(66-49)40-50-48(65-50)32-6-4-2/h20,26,29-30,44-51,55,57H,3-19,21-25,27-28,31-42H2,1-2H3/b29-20?,30-26?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:28][C:43]([CH:29]=[CH:20][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH2:25][CH2:38][C:54](=[O:60])[O:63][CH:45]([CH2:41][O:61][C:52]([CH2:36][CH2:23][CH2:17][CH2:11][CH2:14][CH2:21][CH2:33][CH:46]1[CH:47]([CH2:35][CH:26]=[CH:30][CH:44]([CH2:31][CH2:27][CH2:39][OH:55])[OH:57])[O:64]1)=[O:58])[CH2:42][O:62][C:53]([CH2:37][CH2:24][CH2:18][CH2:12][CH2:15][CH2:22][CH2:34][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:59])=[O:56] |
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