| Properties | Image |
|---|
| MNX_ID | MNXM1186462 |
 |
| reference | envipathM:...6dd8fe57f31f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | QRYHJSLAFGYDPP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-25-34-45(57)53-46(66-53)35-26-19-16-22-28-37-48(58)63-40-43(65-50(60)39-30-21-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-64-49(59)38-29-23-17-20-27-36-47-54(67-47)52(62)51(61)44(56)33-8-5-2/h12,14,24-25,32,34,42-47,51,53-57,61H,4-11,13,15-23,26-31,33,35-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-25-34-45(57)53-46(66-53)35-26-19-16-22-28-37-48(58)63-40-43(65-50(60)39-30-21-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-64-49(59)38-29-23-17-20-27-36-47-54(67-47)52(62)51(61)44(56)33-8-5-2/h12,14,24-25,32,34,42-47,51,53-57,61H,4-11,13,15-23,26-31,33,35-41H2,1-3H3/b14-12?,32-24?,34-25?/t42?,43?,44?,45?,46?,47?,51?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:25]=[CH:34][CH:45]([CH:53]1[CH:46]([CH2:35][CH2:26][CH2:19][CH2:16][CH2:22][CH2:28][CH2:37][C:48](=[O:58])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:49]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:20][CH2:27][CH2:36][CH:47]2[CH:54]([C:52]([CH:51]([CH:44]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])=[O:62])[O:67]2)=[O:59])[O:65][C:50]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])[O:66]1)[OH:57] |
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