| Properties | Image |
|---|
| MNX_ID | MNXM1138698 |
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| reference | envipathM:...8902755947aa |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | KRSONUFIPDGYNH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-17-22-29-42(55)43(56)30-28-31-44(57)53(60)54(61)64-41(39-62-51(58)36-26-20-14-18-24-34-46-45(65-46)33-23-16-11-8-5-2)40-63-52(59)37-27-21-15-19-25-35-48-50(67-48)38-49-47(66-49)32-9-6-3/h12-13,16,22-23,29,41,43-50,53,56-57,60H,4-11,14-15,17-21,24-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)C(O)CCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-17-22-29-42(55)43(56)30-28-31-44(57)53(60)54(61)64-41(39-62-51(58)36-26-20-14-18-24-34-46-45(65-46)33-23-16-11-8-5-2)40-63-52(59)37-27-21-15-19-25-35-48-50(67-48)38-49-47(66-49)32-9-6-3/h12-13,16,22-23,29,41,43-50,53,56-57,60H,4-11,14-15,17-21,24-28,30-40H2,1-3H3/b13-12?,23-16?,29-22?/t41?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:22]=[CH:29][C:42]([CH:43]([CH2:30][CH2:28][CH2:31][CH:44]([CH:53]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:51]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:24][CH2:34][CH:46]1[CH:45]([CH2:33][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:52]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:48]1[CH:50]([CH2:38][CH:49]2[CH:47]([CH2:32][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:59])[OH:60])[OH:57])[OH:56])=[O:55] |
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