| Properties | Image |
|---|
| MNX_ID | MNXM1190935 |
 |
| reference | envipathM:...a4e966ce3581 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | PUUVPLOANBDAHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-6-14-23-32-46-47(66-46)33-24-17-12-19-26-35-51(60)63-39-41(65-54(62)45(59)30-22-16-11-9-7-8-10-15-21-29-43(57)42(56)4-2)40-64-52(61)36-27-20-13-18-25-34-48-49(67-48)38-50-53(68-50)44(58)31-28-37-55/h8,10,14,21,23,29,41-50,53,55-59H,3-7,9,11-13,15-20,22,24-28,30-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCCO)OC(=O)C(O)CCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-6-14-23-32-46-47(66-46)33-24-17-12-19-26-35-51(60)63-39-41(65-54(62)45(59)30-22-16-11-9-7-8-10-15-21-29-43(57)42(56)4-2)40-64-52(61)36-27-20-13-18-25-34-48-49(67-48)38-50-53(68-50)44(58)31-28-37-55/h8,10,14,21,23,29,41-50,53,55-59H,3-7,9,11-13,15-20,22,24-28,30-40H2,1-2H3/b10-8?,23-14?,29-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:19][CH2:26][CH2:35][C:51](=[O:60])[O:63][CH2:39][CH:41]([CH2:40][O:64][C:52]([CH2:36][CH2:27][CH2:20][CH2:13][CH2:18][CH2:25][CH2:34][CH:48]2[CH:49]([CH2:38][CH:50]3[CH:53]([CH:44]([CH2:31][CH2:28][CH2:37][OH:55])[OH:58])[O:68]3)[O:67]2)=[O:61])[O:65][C:54]([CH:45]([CH2:30][CH2:22][CH2:16][CH2:11][CH2:9][CH2:7][CH:8]=[CH:10][CH2:15][CH:21]=[CH:29][CH:43]([CH:42]([CH2:4][CH3:2])[OH:56])[OH:57])[OH:59])=[O:62])[O:66]1 |
|