| Properties | Image |
|---|
| MNX_ID | MNXM1184182 |
 |
| reference | envipathM:...772a55bd9daa |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | CRFGDKUPJHNJPM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-12-23-33-45-46(65-45)34-24-13-10-15-26-36-49(58)62-39-42(64-51(60)38-28-18-17-20-29-41(55)30-21-19-22-31-44(57)43(56)6-3)40-63-50(59)37-27-16-11-14-25-35-48-54(67-48)52(61)53-47(66-53)32-8-5-2/h12,21-23,30-31,42-48,52-54,56-57,61H,4-11,13-20,24-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCC(=O)C=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-12-23-33-45-46(65-45)34-24-13-10-15-26-36-49(58)62-39-42(64-51(60)38-28-18-17-20-29-41(55)30-21-19-22-31-44(57)43(56)6-3)40-63-50(59)37-27-16-11-14-25-35-48-54(67-48)52(61)53-47(66-53)32-8-5-2/h12,21-23,30-31,42-48,52-54,56-57,61H,4-11,13-20,24-29,32-40H2,1-3H3/b23-12?,30-21?,31-22?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:12]=[CH:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:24][CH2:13][CH2:10][CH2:15][CH2:26][CH2:36][C:49](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:27][CH2:16][CH2:11][CH2:14][CH2:25][CH2:35][CH:48]2[CH:54]([CH:52]([CH:53]3[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]3)[OH:61])[O:67]2)=[O:59])[O:64][C:51]([CH2:38][CH2:28][CH2:18][CH2:17][CH2:20][CH2:29][C:41]([CH:30]=[CH:21][CH2:19][CH:22]=[CH:31][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])=[O:55])=[O:60])[O:65]1 |
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