| Properties | Image |
|---|
| MNX_ID | MNXM1173142 |
 |
| reference | envipathM:...50b69bdae19a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | ZUOHCGGBROFLCN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-40-50(58)64-43(41-62-48(56)38-31-26-20-23-29-36-46-45(65-46)35-28-22-10-8-5-2)42-63-49(57)39-32-27-21-24-30-37-47-54(66-47)53(61)52(60)51(59)44(55)34-6-3/h11-12,14-15,22,28,43-47,51-55,59-61H,4-10,13,16-21,23-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C(O)C(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-40-50(58)64-43(41-62-48(56)38-31-26-20-23-29-36-46-45(65-46)35-28-22-10-8-5-2)42-63-49(57)39-32-27-21-24-30-37-47-54(66-47)53(61)52(60)51(59)44(55)34-6-3/h11-12,14-15,22,28,43-47,51-55,59-61H,4-10,13,16-21,23-27,29-42H2,1-3H3/b12-11?,15-14?,28-22?/t43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:25][CH2:33][CH2:40][C:50](=[O:58])[O:64][CH:43]([CH2:41][O:62][C:48]([CH2:38][CH2:31][CH2:26][CH2:20][CH2:23][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])[CH2:42][O:63][C:49]([CH2:39][CH2:32][CH2:27][CH2:21][CH2:24][CH2:30][CH2:37][CH:47]1[CH:54]([CH:53]([CH:52]([CH:51]([CH:44]([CH2:34][CH2:6][CH3:3])[OH:55])[OH:59])[OH:60])[OH:61])[O:66]1)=[O:57] |
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