| Properties | Image |
|---|
| MNX_ID | MNXM1196765 |
 |
| reference | envipathM:...01f0e0e24536 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | GYUAHFTVURDQPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-30-46-48(66-46)37-49-47(67-49)31-23-16-14-18-24-32-50(60)63-38-41(65-52(62)34-26-17-13-11-9-8-10-12-15-21-28-40(55)27-5-2)39-64-51(61)33-25-20-19-22-29-44(58)53-54(68-53)45(59)36-35-43(57)42(56)6-3/h10,12,21,28,35-36,40-49,53-59H,4-9,11,13-20,22-27,29-34,37-39H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C(O)C=CC(O)C(O)CC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-30-46-48(66-46)37-49-47(67-49)31-23-16-14-18-24-32-50(60)63-38-41(65-52(62)34-26-17-13-11-9-8-10-12-15-21-28-40(55)27-5-2)39-64-51(61)33-25-20-19-22-29-44(58)53-54(68-53)45(59)36-35-43(57)42(56)6-3/h10,12,21,28,35-36,40-49,53-59H,4-9,11,13-20,22-27,29-34,37-39H2,1-3H3/b12-10?,28-21?,36-35?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:30][CH:46]1[CH:48]([CH2:37][CH:49]2[CH:47]([CH2:31][CH2:23][CH2:16][CH2:14][CH2:18][CH2:24][CH2:32][C:50](=[O:60])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:51]([CH2:33][CH2:25][CH2:20][CH2:19][CH2:22][CH2:29][CH:44]([CH:53]3[CH:54]([CH:45]([CH:36]=[CH:35][CH:43]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:57])[OH:59])[O:68]3)[OH:58])=[O:61])[O:65][C:52]([CH2:34][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:15][CH:21]=[CH:28][CH:40]([CH2:27][CH2:5][CH3:2])[OH:55])=[O:62])[O:67]2)[O:66]1 |
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