| Properties | Image |
|---|
| MNX_ID | MNXM1192076 |
 |
| reference | envipathM:...357496d9d498 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | CJTAGBJYEQZKBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-9-10-11-12-13-14-15-16-18-24-33-45(58)54(61)64-42(40-63-51(60)37-27-22-21-23-32-44(57)52-47(66-52)35-28-31-41(55)29-5-2)39-62-50(59)36-26-20-17-19-25-34-46-48(65-46)38-49-53(67-49)43(56)30-6-3/h9-10,12-13,28,31,42-49,52-53,56-58H,4-8,11,14-27,29-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-9-10-11-12-13-14-15-16-18-24-33-45(58)54(61)64-42(40-63-51(60)37-27-22-21-23-32-44(57)52-47(66-52)35-28-31-41(55)29-5-2)39-62-50(59)36-26-20-17-19-25-34-46-48(65-46)38-49-53(67-49)43(56)30-6-3/h9-10,12-13,28,31,42-49,52-53,56-58H,4-8,11,14-27,29-30,32-40H2,1-3H3/b10-9?,13-12?,31-28?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| 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][CH2:18][CH2:24][CH2:33][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:26][CH2:20][CH2:17][CH2:19][CH2:25][CH2:34][CH:46]1[CH:48]([CH2:38][CH:49]2[CH:53]([CH:43]([CH2:30][CH2:6][CH3:3])[OH:56])[O:67]2)[O:65]1)=[O:59])[CH2:40][O:63][C:51]([CH2:37][CH2:27][CH2:22][CH2:21][CH2:23][CH2:32][CH:44]([CH:52]1[CH:47]([CH2:35][CH:28]=[CH:31][C:41]([CH2:29][CH2:5][CH3:2])=[O:55])[O:66]1)[OH:57])=[O:60])[OH:58] |
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