| Properties | Image |
|---|
| MNX_ID | MNXM1170741 |
 |
| reference | envipathM:...6ce0c4e00998 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SALCWAXQKOUISE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-30-48-50(66-48)39-51-49(67-51)33-23-17-16-20-29-45(58)54(61)63-41-44(64-53(60)35-25-14-8-6-7-11-19-28-43(57)37-36-42(56)27-4-2)40-62-52(59)34-24-15-9-12-21-31-46-47(65-46)32-22-13-10-18-26-38-55/h13,19,22,28,36-38,42-51,56-58H,3-12,14-18,20-21,23-27,29-35,39-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-30-48-50(66-48)39-51-49(67-51)33-23-17-16-20-29-45(58)54(61)63-41-44(64-53(60)35-25-14-8-6-7-11-19-28-43(57)37-36-42(56)27-4-2)40-62-52(59)34-24-15-9-12-21-31-46-47(65-46)32-22-13-10-18-26-38-55/h13,19,22,28,36-38,42-51,56-58H,3-12,14-18,20-21,23-27,29-35,39-41H2,1-2H3/b22-13?,28-19?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:33][CH2:23][CH2:17][CH2:16][CH2:20][CH2:29][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:52]([CH2:34][CH2:24][CH2:15][CH2:9][CH2:12][CH2:21][CH2:31][CH:46]3[CH:47]([CH2:32][CH:22]=[CH:13][CH2:10][CH2:18][CH2:26][CH:38]=[O:55])[O:65]3)=[O:59])[O:64][C:53]([CH2:35][CH2:25][CH2:14][CH2:8][CH2:6][CH2:7][CH2:11][CH:19]=[CH:28][CH:43]([CH:37]=[CH:36][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[OH:57])=[O:60])[OH:58])[O:67]2)[O:66]1 |
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