| Properties | Image |
|---|
| MNX_ID | MNXM1178396 |
 |
| reference | envipathM:...20d28ac83ba5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JPWRUAIJBCATPR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-16-23-31-42(55)32-24-19-22-30-39-50(59)65-43(40-63-49(58)38-29-18-14-17-28-37-47-46(66-47)36-27-15-11-8-5-2)41-64-54(62)45(57)34-26-21-20-25-33-44(56)51(60)52(61)53-48(67-53)35-9-6-3/h12-13,15,23,27,31,42-48,51,53,55-57,60H,4-11,14,16-22,24-26,28-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC(O)C(O)C(=O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-16-23-31-42(55)32-24-19-22-30-39-50(59)65-43(40-63-49(58)38-29-18-14-17-28-37-47-46(66-47)36-27-15-11-8-5-2)41-64-54(62)45(57)34-26-21-20-25-33-44(56)51(60)52(61)53-48(67-53)35-9-6-3/h12-13,15,23,27,31,42-48,51,53,55-57,60H,4-11,14,16-22,24-26,28-30,32-41H2,1-3H3/b13-12?,27-15?,31-23?/t42?,43?,44?,45?,46?,47?,48?,51?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][CH:42]([CH2:32][CH2:24][CH2:19][CH2:22][CH2:30][CH2:39][C:50](=[O:59])[O:65][CH:43]([CH2:40][O:63][C:49]([CH2:38][CH2:29][CH2:18][CH2:14][CH2:17][CH2:28][CH2:37][CH:47]1[CH:46]([CH2:36][CH:27]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:58])[CH2:41][O:64][C:54]([CH:45]([CH2:34][CH2:26][CH2:21][CH2:20][CH2:25][CH2:33][CH:44]([CH:51]([C:52]([CH:53]1[CH:48]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]1)=[O:61])[OH:60])[OH:56])[OH:57])=[O:62])[OH:55] |
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