| Properties | Image |
|---|
| MNX_ID | MNXM1174219 |
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| reference | envipathM:...9d071aedbc46 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | RXICNOUBIBWPGU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-24-35-48-53(67-48)44(57)31-21-17-22-32-45(58)54(61)63-40-43(64-52(60)37-26-15-14-18-29-42(56)30-20-16-19-28-41(55)27-6-3)39-62-51(59)36-25-13-10-12-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h11,19-20,24,28,30,42-50,53,56-58H,4-10,12-18,21-23,25-27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-24-35-48-53(67-48)44(57)31-21-17-22-32-45(58)54(61)63-40-43(64-52(60)37-26-15-14-18-29-42(56)30-20-16-19-28-41(55)27-6-3)39-62-51(59)36-25-13-10-12-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h11,19-20,24,28,30,42-50,53,56-58H,4-10,12-18,21-23,25-27,29,31-40H2,1-3H3/b24-11?,28-19?,30-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:24][CH2:35][CH:48]1[CH:53]([CH:44]([CH2:31][CH2:21][CH2:17][CH2:22][CH2:32][CH:45]([C:54](=[O:61])[O:63][CH2:40][CH:43]([CH2:39][O:62][C:51]([CH2:36][CH2:25][CH2:13][CH2:10][CH2:12][CH2:23][CH2:34][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:37][CH2:26][CH2:15][CH2:14][CH2:18][CH2:29][CH:42]([CH:30]=[CH:20][CH2:16][CH:19]=[CH:28][C:41]([CH2:27][CH2:6][CH3:3])=[O:55])[OH:56])=[O:60])[OH:58])[OH:57])[O:67]1 |
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