| Properties | Image |
|---|
| MNX_ID | MNXM1192305 |
 |
| reference | envipathM:...53543b226db1 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PSAPFFYJBYZMIG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-37-51(60)64-42(41-63-50(59)36-29-23-22-25-32-44(57)53-46(66-53)34-27-19-17-24-31-38-55)40-62-49(58)35-28-21-16-18-26-33-45-47(65-45)39-48-54(67-48)52(61)43(56)4-2/h7-8,10-11,19,27,38,42-48,52-54,56-57,61H,3-6,9,12-18,20-26,28-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-37-51(60)64-42(41-63-50(59)36-29-23-22-25-32-44(57)53-46(66-53)34-27-19-17-24-31-38-55)40-62-49(58)35-28-21-16-18-26-33-45-47(65-45)39-48-54(67-48)52(61)43(56)4-2/h7-8,10-11,19,27,38,42-48,52-54,56-57,61H,3-6,9,12-18,20-26,28-37,39-41H2,1-2H3/b8-7?,11-10?,27-19?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:30][CH2:37][C:51](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:49]([CH2:35][CH2:28][CH2:21][CH2:16][CH2:18][CH2:26][CH2:33][CH:45]1[CH:47]([CH2:39][CH:48]2[CH:54]([CH:52]([CH:43]([CH2:4][CH3:2])[OH:56])[OH:61])[O:67]2)[O:65]1)=[O:58])[CH2:41][O:63][C:50]([CH2:36][CH2:29][CH2:23][CH2:22][CH2:25][CH2:32][CH:44]([CH:53]1[CH:46]([CH2:34][CH:27]=[CH:19][CH2:17][CH2:24][CH2:31][CH:38]=[O:55])[O:66]1)[OH:57])=[O:59] |
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