| Properties | Image |
|---|
| MNX_ID | MNXM1138313 |
 |
| reference | envipathM:...c9edfc81d86b |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | YRVKSJRCZWEWMZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-13-21-29-46-47(65-46)30-22-15-11-18-24-32-52(59)62-40-43(64-54(61)34-26-17-10-8-9-14-20-27-42(56)35-36-44(57)45(58)37-38-55)41-63-53(60)33-25-19-12-16-23-31-49-51(67-49)39-50-48(66-50)28-6-4-2/h13,20-21,27,35-36,38,42-51,56-58H,3-12,14-19,22-26,28-34,37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)C(O)CC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-13-21-29-46-47(65-46)30-22-15-11-18-24-32-52(59)62-40-43(64-54(61)34-26-17-10-8-9-14-20-27-42(56)35-36-44(57)45(58)37-38-55)41-63-53(60)33-25-19-12-16-23-31-49-51(67-49)39-50-48(66-50)28-6-4-2/h13,20-21,27,35-36,38,42-51,56-58H,3-12,14-19,22-26,28-34,37,39-41H2,1-2H3/b21-13?,27-20?,36-35?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:21][CH2:29][CH:46]1[CH:47]([CH2:30][CH2:22][CH2:15][CH2:11][CH2:18][CH2:24][CH2:32][C:52](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:53]([CH2:33][CH2:25][CH2:19][CH2:12][CH2:16][CH2:23][CH2:31][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:28][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:64][C:54]([CH2:34][CH2:26][CH2:17][CH2:10][CH2:8][CH2:9][CH2:14][CH:20]=[CH:27][CH:42]([CH:35]=[CH:36][CH:44]([CH:45]([CH2:37][CH:38]=[O:55])[OH:58])[OH:57])[OH:56])=[O:61])[O:65]1 |
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