| Properties | Image |
|---|
| MNX_ID | MNXM1186353 |
 |
| reference | envipathM:...a0cfacdd3602 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | FWEIEXYNOAUQKE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-20-27-34-45(56)46(57)35-28-21-18-24-30-38-49(58)62-42-44(64-51(60)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-63-50(59)39-31-25-19-22-29-37-48-54(66-48)52(61)53-47(65-53)36-6-4-2/h8-9,13,15,20,27,41,44-48,53-54,56-57H,3-7,10-12,14,16-19,21-26,28-40,42-43H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-20-27-34-45(56)46(57)35-28-21-18-24-30-38-49(58)62-42-44(64-51(60)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-63-50(59)39-31-25-19-22-29-37-48-54(66-48)52(61)53-47(65-53)36-6-4-2/h8-9,13,15,20,27,41,44-48,53-54,56-57H,3-7,10-12,14,16-19,21-26,28-40,42-43H2,1-2H3/b9-8?,15-13?,27-20?/t44?,45?,46?,47?,48?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:27][CH2:34][CH:45]([CH:46]([CH2:35][CH2:28][CH2:21][CH2:18][CH2:24][CH2:30][CH2:38][C:49](=[O:58])[O:62][CH2:42][CH:44]([CH2:43][O:63][C:50]([CH2:39][CH2:31][CH2:25][CH2:19][CH2:22][CH2:29][CH2:37][CH:48]1[CH:54]([C:52]([CH:53]2[CH:47]([CH2:36][CH2:6][CH2:4][CH3:2])[O:65]2)=[O:61])[O:66]1)=[O:59])[O:64][C:51]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:26][CH2:33][CH:41]=[O:55])=[O:60])[OH:57])[OH:56] |
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