| Properties | Image |
|---|
| MNX_ID | MNXM1190941 |
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| reference | envipathM:...df8f7cde7b52 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | WDZVAQPHHRRQNX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-36-52(60)64-43(40-62-50(58)34-25-21-16-18-23-31-45-46(65-45)33-28-30-42(56)29-4-2)41-63-51(59)35-26-22-17-19-24-32-47-48(66-47)39-49-54(67-49)53(61)44(57)37-38-55/h7-8,10-11,28,30,42-49,54-57H,3-6,9,12-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1C(=O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-36-52(60)64-43(40-62-50(58)34-25-21-16-18-23-31-45-46(65-45)33-28-30-42(56)29-4-2)41-63-51(59)35-26-22-17-19-24-32-47-48(66-47)39-49-54(67-49)53(61)44(57)37-38-55/h7-8,10-11,28,30,42-49,54-57H,3-6,9,12-27,29,31-41H2,1-2H3/b8-7?,11-10?,30-28?/t42?,43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:27][CH2:36][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:50]([CH2:34][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:31][CH:45]1[CH:46]([CH2:33][CH:28]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:65]1)=[O:58])[CH2:41][O:63][C:51]([CH2:35][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:32][CH:47]1[CH:48]([CH2:39][CH:49]2[CH:54]([C:53]([CH:44]([CH2:37][CH2:38][OH:55])[OH:57])=[O:61])[O:67]2)[O:66]1)=[O:59] |
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