| Properties | Image |
|---|
| MNX_ID | MNXM1176594 |
 |
| reference | envipathM:...8eaa42d67852 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | VGRBSKOCLBPKOK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-6-14-23-33-46-47(64-46)34-24-16-13-18-25-36-51(58)61-41-44(63-53(60)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-62-52(59)37-26-20-19-22-32-45(57)54-50(66-54)40-49-48(65-49)35-28-29-39-55/h9,11,21,31,43-50,54-57H,3-8,10,12-20,22-30,32-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-6-14-23-33-46-47(64-46)34-24-16-13-18-25-36-51(58)61-41-44(63-53(60)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-62-52(59)37-26-20-19-22-32-45(57)54-50(66-54)40-49-48(65-49)35-28-29-39-55/h9,11,21,31,43-50,54-57H,3-8,10,12-20,22-30,32-42H2,1-2H3/b11-9?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:14][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:16][CH2:13][CH2:18][CH2:25][CH2:36][C:51](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:52]([CH2:37][CH2:26][CH2:20][CH2:19][CH2:22][CH2:32][CH:45]([CH:54]2[CH:50]([CH2:40][CH:49]3[CH:48]([CH2:35][CH2:28][CH2:29][CH2:39][OH:55])[O:65]3)[O:66]2)[OH:57])=[O:59])[O:63][C:53]([CH2:38][CH2:27][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:21]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:60])[O:64]1 |
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