| Properties | Image |
|---|
| MNX_ID | MNXM1175770 |
 |
| reference | envipathM:...aeec38403923 |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | MIUATQPPFKPXDI-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-17-25-33-45-46(65-45)34-26-18-16-21-28-36-50(59)62-40-42(64-52(61)38-30-20-15-13-11-9-7-8-10-12-14-19-27-35-49(57)58)41-63-51(60)37-29-23-22-24-32-44(56)54-48(67-54)39-47-53(66-47)43(55)31-4-2/h7-8,12,14,17,25,42-48,53-56H,3-6,9-11,13,15-16,18-24,26-41H2,1-2H3,(H,57,58)/p-1 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-17-25-33-45-46(65-45)34-26-18-16-21-28-36-50(59)62-40-42(64-52(61)38-30-20-15-13-11-9-7-8-10-12-14-19-27-35-49(57)58)41-63-51(60)37-29-23-22-24-32-44(56)54-48(67-54)39-47-53(66-47)43(55)31-4-2/h7-8,12,14,17,25,42-48,53-56H,3-6,9-11,13,15-16,18-24,26-41H2,1-2H3,(H,57,58)/b8-7?,14-12?,25-17?/t42?,43?,44?,45?,46?,47?,48?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:17]=[CH:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:26][CH2:18][CH2:16][CH2:21][CH2:28][CH2:36][C:50](=[O:59])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:23][CH2:22][CH2:24][CH2:32][CH:44]([CH:54]2[CH:48]([CH2:39][CH:47]3[CH:53]([CH:43]([CH2:31][CH2:4][CH3:2])[OH:55])[O:66]3)[O:67]2)[OH:56])=[O:60])[O:64][C:52]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:19][CH2:27][CH2:35][C:49](=[O:57])[OH:58])=[O:61])[O:65]1 |
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