| Properties | Image |
|---|
| MNX_ID | MNXM1189511 |
 |
| reference | envipathM:...caf9a63fef8b |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ACBUXLWXYJKMSV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-24-34-48-54(67-48)45(58)31-21-15-17-26-36-52(60)63-40-42(64-53(61)37-27-16-14-19-28-41(55)29-20-18-22-30-44(57)43(56)6-3)39-62-51(59)35-25-13-10-12-23-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h11,20,22,24,29-30,42-50,54,56-58H,4-10,12-19,21,23,25-28,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(=O)C=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-24-34-48-54(67-48)45(58)31-21-15-17-26-36-52(60)63-40-42(64-53(61)37-27-16-14-19-28-41(55)29-20-18-22-30-44(57)43(56)6-3)39-62-51(59)35-25-13-10-12-23-33-47-50(66-47)38-49-46(65-49)32-8-5-2/h11,20,22,24,29-30,42-50,54,56-58H,4-10,12-19,21,23,25-28,31-40H2,1-3H3/b24-11?,29-20?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:24][CH2:34][CH:48]1[CH:54]([CH:45]([CH2:31][CH2:21][CH2:15][CH2:17][CH2:26][CH2:36][C:52](=[O:60])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:51]([CH2:35][CH2:25][CH2:13][CH2:10][CH2:12][CH2:23][CH2:33][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:53]([CH2:37][CH2:27][CH2:16][CH2:14][CH2:19][CH2:28][C:41]([CH:29]=[CH:20][CH2:18][CH:22]=[CH:30][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])=[O:55])=[O:61])[OH:58])[O:67]1 |
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