| Properties | Image |
|---|
| MNX_ID | MNXM1186655 |
 |
| reference | envipathM:...046b80ea98d8 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | HVCDKZVMXWQBQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-11-23-33-46-47(65-46)34-24-13-10-15-26-36-51(59)62-40-43(64-52(60)37-27-14-9-7-8-12-20-30-42(56)31-21-18-19-28-38-55)41-63-54(61)45(58)32-22-16-17-25-35-48-49(66-48)39-50-53(67-50)44(57)29-4-2/h11,20-21,23,30-31,43-50,53,55,57-58H,3-10,12-19,22,24-29,32-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CC(=O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-11-23-33-46-47(65-46)34-24-13-10-15-26-36-51(59)62-40-43(64-52(60)37-27-14-9-7-8-12-20-30-42(56)31-21-18-19-28-38-55)41-63-54(61)45(58)32-22-16-17-25-35-48-49(66-48)39-50-53(67-50)44(57)29-4-2/h11,20-21,23,30-31,43-50,53,55,57-58H,3-10,12-19,22,24-29,32-41H2,1-2H3/b23-11?,30-20?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:11]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:13][CH2:10][CH2:15][CH2:26][CH2:36][C:51](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:16][CH2:17][CH2:25][CH2:35][CH:48]2[CH:49]([CH2:39][CH:50]3[CH:53]([CH:44]([CH2:29][CH2:4][CH3:2])[OH:57])[O:67]3)[O:66]2)[OH:58])=[O:61])[O:64][C:52]([CH2:37][CH2:27][CH2:14][CH2:9][CH2:7][CH2:8][CH2:12][CH:20]=[CH:30][C:42]([CH:31]=[CH:21][CH2:18][CH2:19][CH2:28][CH2:38][OH:55])=[O:56])=[O:60])[O:65]1 |
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