| Properties | Image |
|---|
| MNX_ID | MNXM1190846 |
 |
| reference | envipathM:...9a643fb558b7 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | NLINOKMTWIJKTJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-17-22-30-42(55)51(60)43(56)31-28-29-38-50(59)64-41(39-62-48(57)36-26-20-14-18-24-34-45-44(65-45)33-23-16-11-8-5-2)40-63-49(58)37-27-21-15-19-25-35-47-54(67-47)52(61)53-46(66-53)32-9-6-3/h12-13,16,22-23,30,41,43-47,51-54,56,60-61H,4-11,14-15,17-21,24-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)C(O)C(O)CCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-17-22-30-42(55)51(60)43(56)31-28-29-38-50(59)64-41(39-62-48(57)36-26-20-14-18-24-34-45-44(65-45)33-23-16-11-8-5-2)40-63-49(58)37-27-21-15-19-25-35-47-54(67-47)52(61)53-46(66-53)32-9-6-3/h12-13,16,22-23,30,41,43-47,51-54,56,60-61H,4-11,14-15,17-21,24-29,31-40H2,1-3H3/b13-12?,23-16?,30-22?/t41?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:22]=[CH:30][C:42]([CH:51]([CH:43]([CH2:31][CH2:28][CH2:29][CH2:38][C:50](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:48]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:24][CH2:34][CH:45]1[CH:44]([CH2:33][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:40][O:63][C:49]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:47]1[CH:54]([CH:52]([CH:53]2[CH:46]([CH2:32][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)=[O:58])[OH:56])[OH:60])=[O:55] |
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