| Properties | Image |
|---|
| MNX_ID | MNXM1169938 |
 |
| reference | envipathM:...fa095e601876 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | CAWNCYLYRGIYIQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-17-26-35-47-48(66-47)36-27-19-16-21-28-37-51(59)63-40-43(65-52(60)38-29-20-15-13-11-10-12-14-18-23-31-42(55)30-6-3)41-64-54(62)45(57)33-25-22-24-32-44(56)53(61)46(58)39-50-49(67-50)34-8-5-2/h12,14,17,23,26,31,42-44,46-50,53,55-56,58,61H,4-11,13,15-16,18-22,24-25,27-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(=O)CCCCCC(O)C(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-17-26-35-47-48(66-47)36-27-19-16-21-28-37-51(59)63-40-43(65-52(60)38-29-20-15-13-11-10-12-14-18-23-31-42(55)30-6-3)41-64-54(62)45(57)33-25-22-24-32-44(56)53(61)46(58)39-50-49(67-50)34-8-5-2/h12,14,17,23,26,31,42-44,46-50,53,55-56,58,61H,4-11,13,15-16,18-22,24-25,27-30,32-41H2,1-3H3/b14-12?,26-17?,31-23?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:35][CH:47]1[CH:48]([CH2:36][CH2:27][CH2:19][CH2:16][CH2:21][CH2:28][CH2:37][C:51](=[O:59])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:54]([C:45]([CH2:33][CH2:25][CH2:22][CH2:24][CH2:32][CH:44]([CH:53]([CH:46]([CH2:39][CH:50]2[CH:49]([CH2:34][CH2:8][CH2:5][CH3:2])[O:67]2)[OH:58])[OH:61])[OH:56])=[O:57])=[O:62])[O:65][C:52]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:60])[O:66]1 |
|