| Properties | Image |
|---|
| MNX_ID | MNXM1305045 |
 |
| reference | envipathM:...3d5f6853c55d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SJWYEIZEPOZDCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-23-34-46-47(65-46)35-24-12-10-13-25-36-51(59)62-39-43(64-52(60)37-26-15-14-18-29-42(56)30-20-16-19-28-41(55)27-6-3)40-63-54(61)45(58)32-22-17-21-31-44(57)53-50(67-53)38-49-48(66-49)33-8-5-2/h11,19-20,23,28,30,41-43,45-50,53,55-56,58H,4-10,12-18,21-22,24-27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(=O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-23-34-46-47(65-46)35-24-12-10-13-25-36-51(59)62-39-43(64-52(60)37-26-15-14-18-29-42(56)30-20-16-19-28-41(55)27-6-3)40-63-54(61)45(58)32-22-17-21-31-44(57)53-50(67-53)38-49-48(66-49)33-8-5-2/h11,19-20,23,28,30,41-43,45-50,53,55-56,58H,4-10,12-18,21-22,24-27,29,31-40H2,1-3H3/b23-11?,28-19?,30-20?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:23][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:24][CH2:12][CH2:10][CH2:13][CH2:25][CH2:36][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:17][CH2:21][CH2:31][C:44]([CH:53]2[CH:50]([CH2:38][CH:49]3[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:57])[OH:58])=[O:61])[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][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[O:65]1 |
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