| Properties | Image |
|---|
| MNX_ID | MNXM1171644 |
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| reference | envipathM:...8f602740bf08 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | HGQKSGUUEFTHCS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(59)66-41(39-64-47(58)37-28-25-21-23-27-36-46-53(68-46)51(62)52-45(67-52)35-9-6-3)40-65-54(63)50(61)49(60)44(57)34-31-30-33-43(56)42(55)32-26-22-11-8-5-2/h12-13,15-16,22,26,41-46,49-53,55-57,60-62H,4-11,14,17-21,23-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)C(O)C(O)CCCCC(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(59)66-41(39-64-47(58)37-28-25-21-23-27-36-46-53(68-46)51(62)52-45(67-52)35-9-6-3)40-65-54(63)50(61)49(60)44(57)34-31-30-33-43(56)42(55)32-26-22-11-8-5-2/h12-13,15-16,22,26,41-46,49-53,55-57,60-62H,4-11,14,17-21,23-25,27-40H2,1-3H3/b13-12?,16-15?,26-22?/t41?,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][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:38][C:48](=[O:59])[O:66][CH:41]([CH2:39][O:64][C:47]([CH2:37][CH2:28][CH2:25][CH2:21][CH2:23][CH2:27][CH2:36][CH:46]1[CH:53]([CH:51]([CH:52]2[CH:45]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:62])[O:68]1)=[O:58])[CH2:40][O:65][C:54]([CH:50]([CH:49]([CH:44]([CH2:34][CH2:31][CH2:30][CH2:33][CH:43]([CH:42]([CH2:32][CH:26]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])[OH:57])[OH:60])[OH:61])=[O:63] |
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