| Properties | Image |
|---|
| MNX_ID | MNXM1172331 |
 |
| reference | envipathM:...1c498d26bc17 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VIFKFNPPIRRELF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-31-38-51(60)65-42(40-63-50(59)37-30-24-21-22-28-36-48-53(67-48)45(57)34-26-11-8-5-2)41-64-54(62)52(61)44(56)33-27-25-29-35-47-49(66-47)39-46(58)43(55)32-9-6-3/h12-13,15-16,26,34,42-49,52-53,55-58,61H,4-11,14,17-25,27-33,35-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-31-38-51(60)65-42(40-63-50(59)37-30-24-21-22-28-36-48-53(67-48)45(57)34-26-11-8-5-2)41-64-54(62)52(61)44(56)33-27-25-29-35-47-49(66-47)39-46(58)43(55)32-9-6-3/h12-13,15-16,26,34,42-49,52-53,55-58,61H,4-11,14,17-25,27-33,35-41H2,1-3H3/b13-12?,16-15?,34-26?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:31][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:21][CH2:22][CH2:28][CH2:36][CH:48]1[CH:53]([CH:45]([CH:34]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)=[O:59])[CH2:41][O:64][C:54]([CH:52]([CH:44]([CH2:33][CH2:27][CH2:25][CH2:29][CH2:35][CH:47]1[CH:49]([CH2:39][CH:46]([CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:66]1)[OH:56])[OH:61])=[O:62] |
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