| Properties | Image |
|---|
| MNX_ID | MNXM1189328 |
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| reference | envipathM:...3778a5725a88 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | MYPBCXXESVGHTM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-17-26-45(59)54-48(68-54)29-19-11-9-13-21-31-52(61)64-40-44(65-53(62)32-22-15-14-16-24-41(56)33-35-43(58)36-34-42(57)25-23-37-55)39-63-51(60)30-20-12-8-10-18-28-47-50(67-47)38-49-46(66-49)27-6-4-2/h17,26,33-36,41-50,54-59H,3-16,18-25,27-32,37-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CC(O)C=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-17-26-45(59)54-48(68-54)29-19-11-9-13-21-31-52(61)64-40-44(65-53(62)32-22-15-14-16-24-41(56)33-35-43(58)36-34-42(57)25-23-37-55)39-63-51(60)30-20-12-8-10-18-28-47-50(67-47)38-49-46(66-49)27-6-4-2/h17,26,33-36,41-50,54-59H,3-16,18-25,27-32,37-40H2,1-2H3/b26-17?,35-33?,36-34?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:26][CH:45]([CH:54]1[CH:48]([CH2:29][CH2:19][CH2:11][CH2:9][CH2:13][CH2:21][CH2:31][C:52](=[O:61])[O:64][CH2:40][CH:44]([CH2:39][O:63][C:51]([CH2:30][CH2:20][CH2:12][CH2:8][CH2:10][CH2:18][CH2:28][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:27][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:65][C:53]([CH2:32][CH2:22][CH2:15][CH2:14][CH2:16][CH2:24][CH:41]([CH:33]=[CH:35][CH:43]([CH:36]=[CH:34][CH:42]([CH2:25][CH2:23][CH2:37][OH:55])[OH:57])[OH:58])[OH:56])=[O:62])[O:68]1)[OH:59] |
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