| Properties | Image |
|---|
| MNX_ID | MNXM1197511 |
 |
| reference | envipathM:...441c97e10075 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ZEGREFWLGYGKRC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-11-23-34-47-53(68-47)44(58)31-21-14-16-25-35-50(59)63-39-42(65-51(60)36-26-15-13-20-29-41(56)28-19-12-9-8-10-17-27-37-55)40-64-54(62)52(61)43(57)30-22-18-24-33-46-49(67-46)38-48-45(66-48)32-6-4-2/h8-9,11,19,23,28,41-49,52-53,55-58,61H,3-7,10,12-18,20-22,24-27,29-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-11-23-34-47-53(68-47)44(58)31-21-14-16-25-35-50(59)63-39-42(65-51(60)36-26-15-13-20-29-41(56)28-19-12-9-8-10-17-27-37-55)40-64-54(62)52(61)43(57)30-22-18-24-33-46-49(67-46)38-48-45(66-48)32-6-4-2/h8-9,11,19,23,28,41-49,52-53,55-58,61H,3-7,10,12-18,20-22,24-27,29-40H2,1-2H3/b9-8?,23-11?,28-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:11]=[CH:23][CH2:34][CH:47]1[CH:53]([CH:44]([CH2:31][CH2:21][CH2:14][CH2:16][CH2:25][CH2:35][C:50](=[O:59])[O:63][CH2:39][CH:42]([CH2:40][O:64][C:54]([CH:52]([CH:43]([CH2:30][CH2:22][CH2:18][CH2:24][CH2:33][CH:46]2[CH:49]([CH2:38][CH:48]3[CH:45]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:57])[OH:61])=[O:62])[O:65][C:51]([CH2:36][CH2:26][CH2:15][CH2:13][CH2:20][CH2:29][CH:41]([CH:28]=[CH:19][CH2:12][CH:9]=[CH:8][CH2:10][CH2:17][CH2:27][CH2:37][OH:55])[OH:56])=[O:60])[OH:58])[O:68]1 |
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