| Properties | Image |
|---|
| MNX_ID | MNXM1194434 |
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| reference | envipathM:...aabf3f98c6fa |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | INXQSKSPDCKCSY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-14-24-33-44-45(66-44)34-25-17-12-19-27-36-47(58)63-38-41(65-54(62)49(60)42(56)32-23-16-11-15-22-31-40(55)30-21-10-8-5-2)39-64-48(59)37-28-20-13-18-26-35-46-52(67-46)50(61)53-51(68-53)43(57)29-6-3/h14,21-22,24,30-31,40-46,49-53,55-57,60-61H,4-13,15-20,23,25-29,32-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)OC(=O)C(O)C(O)CCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-14-24-33-44-45(66-44)34-25-17-12-19-27-36-47(58)63-38-41(65-54(62)49(60)42(56)32-23-16-11-15-22-31-40(55)30-21-10-8-5-2)39-64-48(59)37-28-20-13-18-26-35-46-52(67-46)50(61)53-51(68-53)43(57)29-6-3/h14,21-22,24,30-31,40-46,49-53,55-57,60-61H,4-13,15-20,23,25-29,32-39H2,1-3H3/b24-14?,30-21?,31-22?/t40?,41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:24][CH2:33][CH:44]1[CH:45]([CH2:34][CH2:25][CH2:17][CH2:12][CH2:19][CH2:27][CH2:36][C:47](=[O:58])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:48]([CH2:37][CH2:28][CH2:20][CH2:13][CH2:18][CH2:26][CH2:35][CH:46]2[CH:52]([CH:50]([CH:53]3[CH:51]([CH:43]([CH2:29][CH2:6][CH3:3])[OH:57])[O:68]3)[OH:61])[O:67]2)=[O:59])[O:65][C:54]([CH:49]([CH:42]([CH2:32][CH2:23][CH2:16][CH2:11][CH2:15][CH:22]=[CH:31][CH:40]([CH:30]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])[OH:60])=[O:62])[O:66]1 |
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