| Properties | Image |
|---|
| MNX_ID | MNXM1184667 |
 |
| reference | envipathM:...92a7cc70cea2 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | QOWMFQMHOJGNPJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-22-30-39-53(60)64-44(41-62-52(59)38-29-18-14-17-28-37-49-48(65-49)36-27-15-11-8-5-2)42-63-54(61)46(57)34-26-21-20-25-33-45(56)47(58)40-51-50(66-51)35-9-6-3/h12-13,15,23,27,31,44,46-51,57-58H,4-11,14,16-22,24-26,28-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC(=O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-16-23-31-43(55)32-24-19-22-30-39-53(60)64-44(41-62-52(59)38-29-18-14-17-28-37-49-48(65-49)36-27-15-11-8-5-2)42-63-54(61)46(57)34-26-21-20-25-33-45(56)47(58)40-51-50(66-51)35-9-6-3/h12-13,15,23,27,31,44,46-51,57-58H,4-11,14,16-22,24-26,28-30,32-42H2,1-3H3/b13-12?,27-15?,31-23?/t44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:23]=[CH:31][C:43]([CH2:32][CH2:24][CH2:19][CH2:22][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:41][O:62][C:52]([CH2:38][CH2:29][CH2:18][CH2:14][CH2:17][CH2:28][CH2:37][CH:49]1[CH:48]([CH2:36][CH:27]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:42][O:63][C:54]([CH:46]([CH2:34][CH2:26][CH2:21][CH2:20][CH2:25][CH2:33][C:45]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:58])=[O:56])[OH:57])=[O:61])=[O:55] |
|