| Properties | Image |
|---|
| MNX_ID | MNXM1197036 |
 |
| reference | envipathM:...2ffba964bfc6 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | VYZDCADYJOJMKB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-38-53(60)63-44(41-61-51(58)36-25-21-16-18-23-33-46-47(64-46)35-28-31-43(56)30-4-2)42-62-52(59)37-26-22-17-19-24-34-48-49(65-48)40-50-54(66-50)45(57)32-29-39-55/h10-11,28,31,43-50,54-57H,3-9,12-27,29-30,32-42H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-38-53(60)63-44(41-61-51(58)36-25-21-16-18-23-33-46-47(64-46)35-28-31-43(56)30-4-2)42-62-52(59)37-26-22-17-19-24-34-48-49(65-48)40-50-54(66-50)45(57)32-29-39-55/h10-11,28,31,43-50,54-57H,3-9,12-27,29-30,32-42H2,1-2H3/b11-10?,31-28?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:27][CH2:38][C:53](=[O:60])[O:63][CH:44]([CH2:41][O:61][C:51]([CH2:36][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:35][CH:28]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])[O:64]1)=[O:58])[CH2:42][O:62][C:52]([CH2:37][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:40][CH:50]2[CH:54]([CH:45]([CH2:32][CH2:29][CH2:39][OH:55])[OH:57])[O:66]2)[O:65]1)=[O:59] |
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