| Properties | Image |
|---|
| MNX_ID | MNXM1184764 |
 |
| reference | envipathM:...94826d713eec |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | UUDZMPXSBACBGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-21-25-31-43(56)52(59)54(61)64-41(39-62-50(57)37-30-23-19-22-28-35-45-44(65-45)34-27-20-11-8-5-2)40-63-53(60)51(58)42(55)32-26-24-29-36-47-49(67-47)38-48-46(66-48)33-9-6-3/h12-13,15-16,20,27,41-49,51,55-56,58H,4-11,14,17-19,21-26,28-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-21-25-31-43(56)52(59)54(61)64-41(39-62-50(57)37-30-23-19-22-28-35-45-44(65-45)34-27-20-11-8-5-2)40-63-53(60)51(58)42(55)32-26-24-29-36-47-49(67-47)38-48-46(66-48)33-9-6-3/h12-13,15-16,20,27,41-49,51,55-56,58H,4-11,14,17-19,21-26,28-40H2,1-3H3/b13-12?,16-15?,27-20?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:21][CH2:25][CH2:31][CH:43]([C:52]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:50]([CH2:37][CH2:30][CH2:23][CH2:19][CH2:22][CH2:28][CH2:35][CH:45]1[CH:44]([CH2:34][CH:27]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:40][O:63][C:53]([CH:51]([CH:42]([CH2:32][CH2:26][CH2:24][CH2:29][CH2:36][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:55])[OH:58])=[O:60])=[O:59])[OH:56] |
|