| Properties | Image |
|---|
| MNX_ID | MNXM1183742 |
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| reference | envipathM:...785db0048e0f |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | MUTREMWDWVGGGZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-23-32-45(58)53-47(66-53)34-26-19-16-22-28-36-51(60)63-40-41(64-52(61)37-29-20-14-12-10-9-11-13-17-24-31-43(56)42(55)6-3)39-62-50(59)35-27-21-15-18-25-33-46-48(65-46)38-49-54(67-49)44(57)30-5-2/h11,13,23-24,31-32,41,43-49,53-54,56-58H,4-10,12,14-22,25-30,33-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-23-32-45(58)53-47(66-53)34-26-19-16-22-28-36-51(60)63-40-41(64-52(61)37-29-20-14-12-10-9-11-13-17-24-31-43(56)42(55)6-3)39-62-50(59)35-27-21-15-18-25-33-46-48(65-46)38-49-54(67-49)44(57)30-5-2/h11,13,23-24,31-32,41,43-49,53-54,56-58H,4-10,12,14-22,25-30,33-40H2,1-3H3/b13-11?,31-24?,32-23?/t41?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:23]=[CH:32][CH:45]([CH:53]1[CH:47]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:22][CH2:28][CH2:36][C:51](=[O:60])[O:63][CH2:40][CH:41]([CH2:39][O:62][C:50]([CH2:35][CH2:27][CH2:21][CH2:15][CH2:18][CH2:25][CH2:33][CH:46]2[CH:48]([CH2:38][CH:49]3[CH:54]([CH:44]([CH2:30][CH2:5][CH3:2])[OH:57])[O:67]3)[O:65]2)=[O:59])[O:64][C:52]([CH2:37][CH2:29][CH2:20][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:17][CH:24]=[CH:31][CH:43]([C:42]([CH2:6][CH3:3])=[O:55])[OH:56])=[O:61])[O:66]1)[OH:58] |
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