| Properties | Image |
|---|
| MNX_ID | MNXM1178291 |
 |
| reference | envipathM:...2e00a8b2c867 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | UZLRGECLYSCGDR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-50(60)64-43(41-63-49(59)35-29-24-23-25-31-44(57)52-45(65-52)32-26-19-8-6-4-2)40-62-48(58)34-28-22-18-20-27-33-46-53(66-46)51(61)54-47(67-54)38-37-42(56)39-55/h9-10,12-13,19,26,39,42-47,51-54,56-57,61H,3-8,11,14-18,20-25,27-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCC(O)C=O)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-50(60)64-43(41-63-49(59)35-29-24-23-25-31-44(57)52-45(65-52)32-26-19-8-6-4-2)40-62-48(58)34-28-22-18-20-27-33-46-53(66-46)51(61)54-47(67-54)38-37-42(56)39-55/h9-10,12-13,19,26,39,42-47,51-54,56-57,61H,3-8,11,14-18,20-25,27-38,40-41H2,1-2H3/b10-9?,13-12?,26-19?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:36][C:50](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:48]([CH2:34][CH2:28][CH2:22][CH2:18][CH2:20][CH2:27][CH2:33][CH:46]1[CH:53]([CH:51]([CH:54]2[CH:47]([CH2:38][CH2:37][CH:42]([CH:39]=[O:55])[OH:56])[O:67]2)[OH:61])[O:66]1)=[O:58])[CH2:41][O:63][C:49]([CH2:35][CH2:29][CH2:24][CH2:23][CH2:25][CH2:31][CH:44]([CH:52]1[CH:45]([CH2:32][CH:26]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)[OH:57])=[O:59] |
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