| Properties | Image |
|---|
| MNX_ID | MNXM1178666 |
 |
| reference | envipathM:...f4b63ef56002 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | LVVZJDAYFFADQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-53(61)64-44(40-62-51(59)33-24-19-16-17-23-31-46-47(65-46)32-27-29-42(56)28-4-2)41-63-52(60)34-25-21-20-22-30-45(58)54-50(67-54)38-49-48(66-49)37-36-43(57)39-55/h7-8,10-11,27,29,39,42-50,54,56-58H,3-6,9,12-26,28,30-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCC(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-53(61)64-44(40-62-51(59)33-24-19-16-17-23-31-46-47(65-46)32-27-29-42(56)28-4-2)41-63-52(60)34-25-21-20-22-30-45(58)54-50(67-54)38-49-48(66-49)37-36-43(57)39-55/h7-8,10-11,27,29,39,42-50,54,56-58H,3-6,9,12-26,28,30-38,40-41H2,1-2H3/b8-7?,11-10?,29-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:26][CH2:35][C:53](=[O:61])[O:64][CH:44]([CH2:40][O:62][C:51]([CH2:33][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:31][CH:46]1[CH:47]([CH2:32][CH:27]=[CH:29][CH:42]([CH2:28][CH2:4][CH3:2])[OH:56])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:34][CH2:25][CH2:21][CH2:20][CH2:22][CH2:30][CH:45]([CH:54]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:37][CH2:36][CH:43]([CH:39]=[O:55])[OH:57])[O:66]2)[O:67]1)[OH:58])=[O:60] |
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