| Properties | Image |
|---|
| MNX_ID | MNXM1183855 |
 |
| reference | envipathM:...838033073425 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | RBDQTFKXRYBDBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-2-3-35-48-50(65-48)42-51-49(66-51)36-27-19-15-22-29-38-53(60)63-44-45(64-54(61)39-30-20-12-10-8-6-4-5-7-9-11-13-23-31-40-55)43-62-52(59)37-28-21-14-17-25-33-46(57)47(58)34-26-18-16-24-32-41-56/h4-5,9,11,18,26,40,45-46,48-51,56-57H,2-3,6-8,10,12-17,19-25,27-39,41-44H2,1H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)CC=CCCCCO)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-2-3-35-48-50(65-48)42-51-49(66-51)36-27-19-15-22-29-38-53(60)63-44-45(64-54(61)39-30-20-12-10-8-6-4-5-7-9-11-13-23-31-40-55)43-62-52(59)37-28-21-14-17-25-33-46(57)47(58)34-26-18-16-24-32-41-56/h4-5,9,11,18,26,40,45-46,48-51,56-57H,2-3,6-8,10,12-17,19-25,27-39,41-44H2,1H3/b5-4?,11-9?,26-18?/t45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:35][CH:48]1[CH:50]([CH2:42][CH:51]2[CH:49]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:22][CH2:29][CH2:38][C:53](=[O:60])[O:63][CH2:44][CH:45]([CH2:43][O:62][C:52]([CH2:37][CH2:28][CH2:21][CH2:14][CH2:17][CH2:25][CH2:33][CH:46]([C:47]([CH2:34][CH:26]=[CH:18][CH2:16][CH2:24][CH2:32][CH2:41][OH:56])=[O:58])[OH:57])=[O:59])[O:64][C:54]([CH2:39][CH2:30][CH2:20][CH2:12][CH2:10][CH2:8][CH2:6][CH:4]=[CH:5][CH2:7][CH:9]=[CH:11][CH2:13][CH2:23][CH2:31][CH:40]=[O:55])=[O:61])[O:66]2)[O:65]1 |
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