| Properties | Image |
|---|
| MNX_ID | MNXM1171192 |
 |
| reference | envipathM:...94855e0554fc |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | CRVSFKNKXOJZIZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-20-27-35-47(58)54(61)64-44(42-62-52(59)38-29-23-17-21-26-34-46(57)45(56)33-25-19-8-6-4-2)43-63-53(60)39-30-24-18-22-28-36-48-50(65-48)41-51-49(66-51)37-31-32-40-55/h9-10,19,25,44-46,48-51,55-57H,3-8,11-18,20-24,26-43H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-9-10-11-12-13-14-15-16-20-27-35-47(58)54(61)64-44(42-62-52(59)38-29-23-17-21-26-34-46(57)45(56)33-25-19-8-6-4-2)43-63-53(60)39-30-24-18-22-28-36-48-50(65-48)41-51-49(66-51)37-31-32-40-55/h9-10,19,25,44-46,48-51,55-57H,3-8,11-18,20-24,26-43H2,1-2H3/b10-9?,25-19?/t44?,45?,46?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:20][CH2:27][CH2:35][C:47]([C:54](=[O:61])[O:64][CH:44]([CH2:42][O:62][C:52]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:21][CH2:26][CH2:34][CH:46]([CH:45]([CH2:33][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:57])=[O:59])[CH2:43][O:63][C:53]([CH2:39][CH2:30][CH2:24][CH2:18][CH2:22][CH2:28][CH2:36][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:37][CH2:31][CH2:32][CH2:40][OH:55])[O:66]2)[O:65]1)=[O:60])=[O:58] |
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