| Properties | Image |
|---|
| MNX_ID | MNXM1198253 |
 |
| reference | envipathM:...52e0fed4fd27 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | VVRGXZVWHSTPHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-16-26-35-45-46(66-45)36-27-18-15-20-28-37-48(57)63-40-43(65-50(59)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)41-64-49(58)38-29-22-21-25-33-44(56)51(60)52(61)53(62)54-47(67-54)34-9-6-3/h16,23-24,26,31-32,42-47,52-56,61-62H,4-15,17-22,25,27-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(=O)C(O)C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-16-26-35-45-46(66-45)36-27-18-15-20-28-37-48(57)63-40-43(65-50(59)39-30-19-14-12-13-17-24-32-42(55)31-23-11-8-5-2)41-64-49(58)38-29-22-21-25-33-44(56)51(60)52(61)53(62)54-47(67-54)34-9-6-3/h16,23-24,26,31-32,42-47,52-56,61-62H,4-15,17-22,25,27-30,33-41H2,1-3H3/b26-16?,31-23?,32-24?/t42?,43?,44?,45?,46?,47?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:27][CH2:18][CH2:15][CH2:20][CH2:28][CH2:37][C:48](=[O:57])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:49]([CH2:38][CH2:29][CH2:22][CH2:21][CH2:25][CH2:33][CH:44]([C:51]([CH:52]([CH:53]([CH:54]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:62])[OH:61])=[O:60])[OH:56])=[O:58])[O:65][C:50]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:42]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[O:66]1 |
|