| Properties | Image |
|---|
| MNX_ID | MNXM1184882 |
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| reference | envipathM:...1067127078cc |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | JGSVCPLRVLIJCK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-35-51(61)64-42(39-62-49(59)33-26-21-18-19-25-32-46-47(65-46)38-48-52(66-48)43(56)30-6-3)40-63-50(60)34-27-23-22-24-31-44(57)53-54(67-53)45(58)37-36-41(55)29-5-2/h9-10,12-13,36-37,41-44,46-48,52-57H,4-8,11,14-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCCC(O)C1OC1C(=O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-35-51(61)64-42(39-62-49(59)33-26-21-18-19-25-32-46-47(65-46)38-48-52(66-48)43(56)30-6-3)40-63-50(60)34-27-23-22-24-31-44(57)53-54(67-53)45(58)37-36-41(55)29-5-2/h9-10,12-13,36-37,41-44,46-48,52-57H,4-8,11,14-35,38-40H2,1-3H3/b10-9?,13-12?,37-36?/t41?,42?,43?,44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:28][CH2:35][C:51](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:49]([CH2:33][CH2:26][CH2:21][CH2:18][CH2:19][CH2:25][CH2:32][CH:46]1[CH:47]([CH2:38][CH:48]2[CH:52]([CH:43]([CH2:30][CH2:6][CH3:3])[OH:56])[O:66]2)[O:65]1)=[O:59])[CH2:40][O:63][C:50]([CH2:34][CH2:27][CH2:23][CH2:22][CH2:24][CH2:31][CH:44]([CH:53]1[CH:54]([C:45]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:58])[O:67]1)[OH:57])=[O:60] |
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