| Properties | Image |
|---|
| MNX_ID | MNXM1181713 |
 |
| reference | envipathM:...5b8bd50b85ad |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | MKPYFZNWMXGURG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-24-35-48-53(67-48)44(57)31-21-14-15-26-37-52(60)63-40-43(64-54(61)45(58)32-22-17-20-30-42(56)29-19-16-18-28-41(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/h11,18-19,24,28-29,41-43,45-50,53,55-56,58H,4-10,12-17,20-23,25-27,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(=O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCC(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)31-21-14-15-26-37-52(60)63-40-43(64-54(61)45(58)32-22-17-20-30-42(56)29-19-16-18-28-41(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/h11,18-19,24,28-29,41-43,45-50,53,55-56,58H,4-10,12-17,20-23,25-27,30-40H2,1-3H3/b24-11?,28-18?,29-19?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:24][CH2:35][CH:48]1[CH:53]([C:44]([CH2:31][CH2:21][CH2:14][CH2:15][CH2:26][CH2:37][C:52](=[O:60])[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:54]([CH:45]([CH2:32][CH2:22][CH2:17][CH2:20][CH2:30][CH:42]([CH:29]=[CH:19][CH2:16][CH:18]=[CH:28][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])=[O:61])=[O:57])[O:67]1 |
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