| Properties | Image |
|---|
| MNX_ID | MNXM1188144 |
 |
| reference | envipathM:...6037559c7ac6 |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | UDLSQSKGVJJCMW-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-15-23-31-45-46(65-45)32-24-17-13-20-26-34-51(59)62-40-43(64-53(61)36-28-19-12-10-8-7-9-11-16-22-30-42(55)37-38-50(57)58)41-63-52(60)35-27-21-14-18-25-33-47-48(66-47)39-49-54(67-49)44(56)29-4-2/h9,11,15,22-23,30,42-49,54-56H,3-8,10,12-14,16-21,24-29,31-41H2,1-2H3,(H,57,58)/p-1 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-15-23-31-45-46(65-45)32-24-17-13-20-26-34-51(59)62-40-43(64-53(61)36-28-19-12-10-8-7-9-11-16-22-30-42(55)37-38-50(57)58)41-63-52(60)35-27-21-14-18-25-33-47-48(66-47)39-49-54(67-49)44(56)29-4-2/h9,11,15,22-23,30,42-49,54-56H,3-8,10,12-14,16-21,24-29,31-41H2,1-2H3,(H,57,58)/b11-9?,23-15?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:15]=[CH:23][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:34][C:51](=[O:59])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:52]([CH2:35][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:33][CH:47]2[CH:48]([CH2:39][CH:49]3[CH:54]([CH:44]([CH2:29][CH2:4][CH3:2])[OH:56])[O:67]3)[O:66]2)=[O:60])[O:64][C:53]([CH2:36][CH2:28][CH2:19][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:16][CH:22]=[CH:30][CH:42]([CH2:37][CH2:38][C:50](=[O:57])[OH:58])[OH:55])=[O:61])[O:65]1 |
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