| Properties | Image |
|---|
| MNX_ID | MNXM1172307 |
 |
| reference | envipathM:...ff2855c7db87 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | GSHFRJRVTFBBAY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-13-23-33-46-47(64-46)34-25-19-18-22-32-45(57)54(60)62-42-44(63-53(59)38-27-16-11-9-10-14-21-31-43(56)30-20-8-6-4-2)41-61-52(58)37-26-17-12-15-24-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h13,21,23,31,39,43-51,56-57H,3-12,14-20,22,24-30,32-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O)OC(=O)CCCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-13-23-33-46-47(64-46)34-25-19-18-22-32-45(57)54(60)62-42-44(63-53(59)38-27-16-11-9-10-14-21-31-43(56)30-20-8-6-4-2)41-61-52(58)37-26-17-12-15-24-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h13,21,23,31,39,43-51,56-57H,3-12,14-20,22,24-30,32-38,40-42H2,1-2H3/b23-13?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:25][CH2:19][CH2:18][CH2:22][CH2:32][CH:45]([C:54](=[O:60])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:52]([CH2:37][CH2:26][CH2:17][CH2:12][CH2:15][CH2:24][CH2:35][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:36][CH2:28][CH2:29][CH:39]=[O:55])[O:66]3)[O:65]2)=[O:58])[O:63][C:53]([CH2:38][CH2:27][CH2:16][CH2:11][CH2:9][CH2:10][CH2:14][CH:21]=[CH:31][CH:43]([CH2:30][CH2:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:59])[OH:57])[O:64]1 |
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