| Properties | Image |
|---|
| MNX_ID | MNXM1187837 |
 |
| reference | envipathM:...98366b78a8fc |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | BZVZRNJEXMYCCN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-12-20-33-46-47(65-46)34-21-13-10-15-23-36-52(59)62-39-42(64-54(61)45(58)31-26-25-30-44(57)43(56)29-19-17-18-28-41(55)27-6-3)40-63-53(60)37-24-16-11-14-22-35-49-51(67-49)38-50-48(66-50)32-8-5-2/h12,18-20,28-29,41-42,44-51,55,57-58H,4-11,13-17,21-27,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCC(O)C(=O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-12-20-33-46-47(65-46)34-21-13-10-15-23-36-52(59)62-39-42(64-54(61)45(58)31-26-25-30-44(57)43(56)29-19-17-18-28-41(55)27-6-3)40-63-53(60)37-24-16-11-14-22-35-49-51(67-49)38-50-48(66-50)32-8-5-2/h12,18-20,28-29,41-42,44-51,55,57-58H,4-11,13-17,21-27,30-40H2,1-3H3/b20-12?,28-18?,29-19?/t41?,42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:20][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:21][CH2:13][CH2:10][CH2:15][CH2:23][CH2:36][C:52](=[O:59])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:53]([CH2:37][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:35][CH:49]2[CH:51]([CH2:38][CH:50]3[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:64][C:54]([CH:45]([CH2:31][CH2:26][CH2:25][CH2:30][CH:44]([C:43]([CH:29]=[CH:19][CH2:17][CH:18]=[CH:28][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])=[O:56])[OH:57])[OH:58])=[O:61])[O:65]1 |
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