| Properties | Image |
|---|
| MNX_ID | MNXM1191629 |
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| reference | envipathM:...2b1748ff4066 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | CXKJKIGINZGRSU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-12-13-16-21-29-40(55)30-22-19-20-26-37-48(58)65-41(38-63-47(57)36-25-18-14-17-24-35-46-53(68-46)51(61)52-45(67-52)32-9-6-3)39-64-54(62)50(60)49(59)42(56)31-27-28-34-44-43(66-44)33-23-15-11-8-5-2/h12-13,15,21,23,29,40-46,49-53,55-56,59-61H,4-11,14,16-20,22,24-28,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)C(O)C(O)CCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-12-13-16-21-29-40(55)30-22-19-20-26-37-48(58)65-41(38-63-47(57)36-25-18-14-17-24-35-46-53(68-46)51(61)52-45(67-52)32-9-6-3)39-64-54(62)50(60)49(59)42(56)31-27-28-34-44-43(66-44)33-23-15-11-8-5-2/h12-13,15,21,23,29,40-46,49-53,55-56,59-61H,4-11,14,16-20,22,24-28,30-39H2,1-3H3/b13-12?,23-15?,29-21?/t40?,41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:21]=[CH:29][CH:40]([CH2:30][CH2:22][CH2:19][CH2:20][CH2:26][CH2:37][C:48](=[O:58])[O:65][CH:41]([CH2:38][O:63][C:47]([CH2:36][CH2:25][CH2:18][CH2:14][CH2:17][CH2:24][CH2:35][CH:46]1[CH:53]([CH:51]([CH:52]2[CH:45]([CH2:32][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:61])[O:68]1)=[O:57])[CH2:39][O:64][C:54]([CH:50]([CH:49]([CH:42]([CH2:31][CH2:27][CH2:28][CH2:34][CH:44]1[CH:43]([CH2:33][CH:23]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])[OH:59])[OH:60])=[O:62])[OH:55] |
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