| Properties | Image |
|---|
| MNX_ID | MNXM1197587 |
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| reference | envipathM:...29ee513de86c |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RQGHSMSBSSUQQY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-29-47-48(67-47)37-49-54(68-49)53(62)44(58)28-18-16-22-33-51(60)64-39-43(65-52(61)34-21-14-10-8-9-12-17-26-42(57)36-35-41(56)25-6-3)38-63-50(59)32-20-15-11-13-19-30-45-46(66-45)31-23-27-40(55)24-5-2/h17,23,26-27,35-36,40-49,53-58,62H,4-16,18-22,24-25,28-34,37-39H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-29-47-48(67-47)37-49-54(68-49)53(62)44(58)28-18-16-22-33-51(60)64-39-43(65-52(61)34-21-14-10-8-9-12-17-26-42(57)36-35-41(56)25-6-3)38-63-50(59)32-20-15-11-13-19-30-45-46(66-45)31-23-27-40(55)24-5-2/h17,23,26-27,35-36,40-49,53-58,62H,4-16,18-22,24-25,28-34,37-39H2,1-3H3/b26-17?,27-23?,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][CH2:29][CH:47]1[CH:48]([CH2:37][CH:49]2[CH:54]([CH:53]([CH:44]([CH2:28][CH2:18][CH2:16][CH2:22][CH2:33][C:51](=[O:60])[O:64][CH2:39][CH:43]([CH2:38][O:63][C:50]([CH2:32][CH2:20][CH2:15][CH2:11][CH2:13][CH2:19][CH2:30][CH:45]3[CH:46]([CH2:31][CH:23]=[CH:27][CH:40]([CH2:24][CH2:5][CH3:2])[OH:55])[O:66]3)=[O:59])[O:65][C:52]([CH2:34][CH2:21][CH2:14][CH2:10][CH2:8][CH2:9][CH2:12][CH:17]=[CH:26][CH:42]([CH:36]=[CH:35][CH:41]([CH2:25][CH2:6][CH3:3])[OH:56])[OH:57])=[O:61])[OH:58])[OH:62])[O:68]2)[O:67]1 |
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