| Properties | Image |
|---|
| MNX_ID | MNXM1173148 |
 |
| reference | envipathM:...43f1810cbe20 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CRNWKTCCTDPFDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-13-23-31-46-47(65-46)32-24-15-12-17-25-33-51(59)62-40-44(64-53(61)35-27-16-11-9-10-14-21-29-42(56)28-20-8-6-4-2)41-63-52(60)34-26-19-18-22-30-45(58)54-50(67-54)38-49-48(66-49)37-36-43(57)39-55/h13,20,23,28,42-50,54-58H,3-12,14-19,21-22,24-27,29-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCC(O)CO)OC(=O)CCCCCCCCCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-13-23-31-46-47(65-46)32-24-15-12-17-25-33-51(59)62-40-44(64-53(61)35-27-16-11-9-10-14-21-29-42(56)28-20-8-6-4-2)41-63-52(60)34-26-19-18-22-30-45(58)54-50(67-54)38-49-48(66-49)37-36-43(57)39-55/h13,20,23,28,42-50,54-58H,3-12,14-19,21-22,24-27,29-41H2,1-2H3/b23-13?,28-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:24][CH2:15][CH2:12][CH2:17][CH2:25][CH2:33][C:51](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:52]([CH2:34][CH2:26][CH2:19][CH2:18][CH2:22][CH2:30][CH:45]([CH:54]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:37][CH2:36][CH:43]([CH2:39][OH:55])[OH:57])[O:66]3)[O:67]2)[OH:58])=[O:60])[O:64][C:53]([CH2:35][CH2:27][CH2:16][CH2:11][CH2:9][CH2:10][CH2:14][CH2:21][CH2:29][CH:42]([CH:28]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:61])[O:65]1 |
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