| Properties | Image |
|---|
| MNX_ID | MNXM1175319 |
 |
| reference | envipathM:...a72b6e7a6b02 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | QYXXEBALSJXJPR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-20-30-43(57)52-47(67-52)34-23-11-10-12-24-35-50(60)63-38-42(65-54(62)45(59)32-22-16-19-29-41(56)28-18-15-17-27-40(55)26-6-3)39-64-51(61)36-25-14-13-21-31-44(58)53-49(68-53)37-48-46(66-48)33-8-5-2/h17-18,20,27-28,30,40-49,52-53,55-59H,4-16,19,21-26,29,31-39H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-20-30-43(57)52-47(67-52)34-23-11-10-12-24-35-50(60)63-38-42(65-54(62)45(59)32-22-16-19-29-41(56)28-18-15-17-27-40(55)26-6-3)39-64-51(61)36-25-14-13-21-31-44(58)53-49(68-53)37-48-46(66-48)33-8-5-2/h17-18,20,27-28,30,40-49,52-53,55-59H,4-16,19,21-26,29,31-39H2,1-3H3/b27-17?,28-18?,30-20?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:30][CH:43]([CH:52]1[CH:47]([CH2:34][CH2:23][CH2:11][CH2:10][CH2:12][CH2:24][CH2:35][C:50](=[O:60])[O:63][CH2:38][CH:42]([CH2:39][O:64][C:51]([CH2:36][CH2:25][CH2:14][CH2:13][CH2:21][CH2:31][CH:44]([CH:53]2[CH:49]([CH2:37][CH:48]3[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)[O:68]2)[OH:58])=[O:61])[O:65][C:54]([CH:45]([CH2:32][CH2:22][CH2:16][CH2:19][CH2:29][CH:41]([CH:28]=[CH:18][CH2:15][CH:17]=[CH:27][CH:40]([CH2:26][CH2:6][CH3:3])[OH:55])[OH:56])[OH:59])=[O:62])[O:67]1)[OH:57] |
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