| Properties | Image |
|---|
| MNX_ID | MNXM1194113 |
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| reference | envipathM:...78d6229997cd |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WBXKBMHXEXCTBD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-17-24-31-42(56)49(59)54(62)65-41(40-64-53(61)43(57)32-25-21-22-27-35-45-44(66-45)34-26-19-16-23-30-38-55)39-63-48(58)37-29-20-15-18-28-36-47-52(68-47)50(60)51-46(67-51)33-6-4-2/h8-9,11-12,19,26,41-47,49-52,55-57,59-60H,3-7,10,13-18,20-25,27-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-17-24-31-42(56)49(59)54(62)65-41(40-64-53(61)43(57)32-25-21-22-27-35-45-44(66-45)34-26-19-16-23-30-38-55)39-63-48(58)37-29-20-15-18-28-36-47-52(68-47)50(60)51-46(67-51)33-6-4-2/h8-9,11-12,19,26,41-47,49-52,55-57,59-60H,3-7,10,13-18,20-25,27-40H2,1-2H3/b9-8?,12-11?,26-19?/t41?,42?,43?,44?,45?,46?,47?,49?,50?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:17][CH2:24][CH2:31][CH:42]([CH:49]([C:54](=[O:62])[O:65][CH:41]([CH2:39][O:63][C:48]([CH2:37][CH2:29][CH2:20][CH2:15][CH2:18][CH2:28][CH2:36][CH:47]1[CH:52]([CH:50]([CH:51]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:60])[O:68]1)=[O:58])[CH2:40][O:64][C:53]([CH:43]([CH2:32][CH2:25][CH2:21][CH2:22][CH2:27][CH2:35][CH:45]1[CH:44]([CH2:34][CH:26]=[CH:19][CH2:16][CH2:23][CH2:30][CH2:38][OH:55])[O:66]1)[OH:57])=[O:61])[OH:59])[OH:56] |
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