| Properties | Image |
|---|
| MNX_ID | MNXM1305047 |
 |
| reference | envipathM:...46e1219def22 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YWMIEQXGEZITCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-19-27-34-47-48(66-47)35-28-21-18-24-30-37-51(60)64-42-43(65-52(61)38-31-22-15-13-11-9-7-8-10-12-14-16-25-32-39-55)41-63-50(59)36-29-23-17-20-26-33-45(57)46(58)40-49-54(67-49)53(62)44(56)4-2/h7-8,12,14,19,27,39,43-49,53-54,56-58,62H,3-6,9-11,13,15-18,20-26,28-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)C(O)CC)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-19-27-34-47-48(66-47)35-28-21-18-24-30-37-51(60)64-42-43(65-52(61)38-31-22-15-13-11-9-7-8-10-12-14-16-25-32-39-55)41-63-50(59)36-29-23-17-20-26-33-45(57)46(58)40-49-54(67-49)53(62)44(56)4-2/h7-8,12,14,19,27,39,43-49,53-54,56-58,62H,3-6,9-11,13,15-18,20-26,28-38,40-42H2,1-2H3/b8-7?,14-12?,27-19?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:19]=[CH:27][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:28][CH2:21][CH2:18][CH2:24][CH2:30][CH2:37][C:51](=[O:60])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:29][CH2:23][CH2:17][CH2:20][CH2:26][CH2:33][CH:45]([CH:46]([CH2:40][CH:49]2[CH:54]([CH:53]([CH:44]([CH2:4][CH3:2])[OH:56])[OH:62])[O:67]2)[OH:58])[OH:57])=[O:59])[O:65][C:52]([CH2:38][CH2:31][CH2:22][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:25][CH2:32][CH:39]=[O:55])=[O:61])[O:66]1 |
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