| Properties | Image |
|---|
| MNX_ID | MNXM1196041 |
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| reference | envipathM:...10875d35115a |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | MGXXWKZNFUNSDM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-22-30-45(58)54-48(67-54)32-24-17-14-20-26-34-52(60)63-41-44(64-53(61)35-27-18-12-10-8-7-9-11-15-21-29-42(56)28-4-2)40-62-51(59)33-25-19-13-16-23-31-46-49(65-46)38-50-47(66-50)37-36-43(57)39-55/h9,11,21-22,29-30,43-50,54-55,57-58H,3-8,10,12-20,23-28,31-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO)OC(=O)CCCCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-22-30-45(58)54-48(67-54)32-24-17-14-20-26-34-52(60)63-41-44(64-53(61)35-27-18-12-10-8-7-9-11-15-21-29-42(56)28-4-2)40-62-51(59)33-25-19-13-16-23-31-46-49(65-46)38-50-47(66-50)37-36-43(57)39-55/h9,11,21-22,29-30,43-50,54-55,57-58H,3-8,10,12-20,23-28,31-41H2,1-2H3/b11-9?,29-21?,30-22?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:22]=[CH:30][CH:45]([CH:54]1[CH:48]([CH2:32][CH2:24][CH2:17][CH2:14][CH2:20][CH2:26][CH2:34][C:52](=[O:60])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:51]([CH2:33][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:31][CH:46]2[CH:49]([CH2:38][CH:50]3[CH:47]([CH2:37][CH2:36][CH:43]([CH2:39][OH:55])[OH:57])[O:66]3)[O:65]2)=[O:59])[O:64][C:53]([CH2:35][CH2:27][CH2:18][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:21]=[CH:29][C:42]([CH2:28][CH2:4][CH3:2])=[O:56])=[O:61])[O:67]1)[OH:58] |
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